USER MOD reduce.3.24.130724 H: found=0, std=0, add=1113, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 936 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 GLN : amide:sc= 0 X(o=-0.7,f=-0.7) USER MOD Set 1.2: A 135 TYR OH : rot 165:sc= -0.695 USER MOD Set 2.1: A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 125 ASN : amide:sc= -0.595 X(o=-0.59,f=-0.73) USER MOD Set 3.1: A 94 HIS :FLIP no HD1:sc= -0.386 F(o=-1.4,f=-0.3) USER MOD Set 3.2: A 104 TYR OH : rot -138:sc= 0.0902 USER MOD Set 4.1: A 89 SER OG : rot -140:sc= 0.0802 USER MOD Set 4.2: A 142 SER OG : rot 131:sc= 0.684 USER MOD Set 5.1: A 16 GLN : amide:sc= -2.87 K(o=-5.2,f=-8.9!) USER MOD Set 5.2: A 36 HIS : no HD1:sc= -2.35 X(o=-5.2,f=-4.8) USER MOD Single : A 1 CYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 42:sc= 0.649 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 11 THR OG1 : rot -27:sc= 0.528 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 159:sc= -2.19 (180deg=-3.7!) USER MOD Single : A 18 SER OG : rot 44:sc= 0.135 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 62:sc= 1.17 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= -0.0157 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -2.03 K(o=-2,f=-5.7!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 45 LYS NZ :NH3+ -144:sc= -0.0302 (180deg=-1.15) USER MOD Single : A 47 ASN : amide:sc= -2.61! C(o=-2.6!,f=-4!) USER MOD Single : A 50 THR OG1 : rot 116:sc= -3.25! USER MOD Single : A 52 GLN : amide:sc= -1 K(o=-1,f=-2.2) USER MOD Single : A 53 SER OG : rot -35:sc= 0.331 USER MOD Single : A 54 ASN :FLIP amide:sc= -2.63 F(o=-3.4,f=-2.6) USER MOD Single : A 55 SER OG : rot 180:sc= 0.0201 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -26:sc= 0.504 USER MOD Single : A 67 GLN : amide:sc= -0.166 K(o=-0.17,f=-1.4!) USER MOD Single : A 69 GLN : amide:sc= -0.0234 X(o=-0.023,f=0) USER MOD Single : A 71 THR OG1 : rot -176:sc= 1.35 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.0514 USER MOD Single : A 76 GLN : amide:sc= 0.769 K(o=0.77,f=-0.96) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 GLN : amide:sc= -3.19 K(o=-3.2,f=-8.6!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -125:sc= -3.56! (180deg=-7.44!) USER MOD Single : A 95 SER OG : rot 82:sc= 1.09 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 163:sc=-0.00535 (180deg=-0.0802) USER MOD Single : A 114 GLN : amide:sc= -0.21 X(o=-0.21,f=-0.018) USER MOD Single : A 116 ASN : amide:sc= -0.866 K(o=-0.87,f=-2.8) USER MOD Single : A 119 ASN : amide:sc= -1.77 K(o=-1.8,f=-3!) USER MOD Single : A 120 ASN : amide:sc= -0.0213 X(o=-0.021,f=-0.27) USER MOD Single : A 121 SER OG : rot 180:sc= -0.0414 USER MOD Single : A 122 HIS : no HD1:sc= -0.419 X(o=-0.42,f=0.0023) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 MET CE :methyl 164:sc= -0.852 (180deg=-1.31) USER MOD Single : A 144 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 145 ASN : amide:sc= -1.36 X(o=-1.4,f=-1.4) USER MOD Single : A 148 THR OG1 : rot 180:sc= -1.4! USER MOD ----------------------------------------------------------------- ATOM 74 N CYS A 1 2.368 13.401 -15.515 1.00 22.15 N ATOM 75 CA CYS A 1 2.377 13.701 -14.088 1.00 12.44 C ATOM 76 C CYS A 1 2.825 12.487 -13.280 1.00 33.32 C ATOM 77 O CYS A 1 3.820 12.543 -12.556 1.00 53.42 O ATOM 78 CB CYS A 1 0.988 14.148 -13.631 1.00 70.32 C ATOM 79 SG CYS A 1 0.632 13.794 -11.880 1.00 63.13 S ATOM 0 H1 CYS A 1 2.060 14.241 -16.044 1.00 22.15 H new ATOM 0 H2 CYS A 1 3.325 13.132 -15.819 1.00 22.15 H new ATOM 0 H3 CYS A 1 1.712 12.615 -15.700 1.00 22.15 H new ATOM 0 HA CYS A 1 3.086 14.511 -13.917 1.00 12.44 H new ATOM 0 HB2 CYS A 1 0.889 15.220 -13.801 1.00 70.32 H new ATOM 0 HB3 CYS A 1 0.238 13.656 -14.250 1.00 70.32 H new ATOM 83 N SER A 2 2.085 11.392 -13.408 1.00 25.01 N ATOM 84 CA SER A 2 2.403 10.165 -12.688 1.00 63.51 C ATOM 85 C SER A 2 3.863 9.773 -12.898 1.00 44.35 C ATOM 86 O SER A 2 4.222 9.213 -13.933 1.00 1.10 O ATOM 87 CB SER A 2 1.487 9.027 -13.144 1.00 1.45 C ATOM 88 OG SER A 2 1.579 8.830 -14.545 1.00 14.42 O ATOM 0 H SER A 2 1.260 11.329 -14.004 1.00 25.01 H new ATOM 0 HA SER A 2 2.243 10.347 -11.625 1.00 63.51 H new ATOM 0 HB2 SER A 2 1.758 8.107 -12.625 1.00 1.45 H new ATOM 0 HB3 SER A 2 0.456 9.254 -12.872 1.00 1.45 H new ATOM 0 HG SER A 2 2.516 8.894 -14.824 1.00 14.42 H new ATOM 93 N GLU A 3 4.697 10.074 -11.909 1.00 10.33 N ATOM 94 CA GLU A 3 6.118 9.755 -11.986 1.00 3.11 C ATOM 95 C GLU A 3 6.541 8.867 -10.819 1.00 5.01 C ATOM 96 O GLU A 3 5.941 8.884 -9.744 1.00 43.14 O ATOM 97 CB GLU A 3 6.952 11.037 -11.993 1.00 2.21 C ATOM 98 CG GLU A 3 7.067 11.696 -10.629 1.00 72.13 C ATOM 99 CD GLU A 3 8.506 11.869 -10.184 1.00 55.52 C ATOM 100 OE1 GLU A 3 9.353 12.217 -11.034 1.00 31.32 O ATOM 101 OE2 GLU A 3 8.785 11.659 -8.985 1.00 22.33 O ATOM 0 H GLU A 3 4.414 10.538 -11.046 1.00 10.33 H new ATOM 0 HA GLU A 3 6.292 9.212 -12.915 1.00 3.11 H new ATOM 0 HB2 GLU A 3 7.952 10.808 -12.362 1.00 2.21 H new ATOM 0 HB3 GLU A 3 6.508 11.745 -12.693 1.00 2.21 H new ATOM 0 HG2 GLU A 3 6.580 12.671 -10.658 1.00 72.13 H new ATOM 0 HG3 GLU A 3 6.533 11.095 -9.893 1.00 72.13 H new ATOM 106 N PRO A 4 7.599 8.070 -11.034 1.00 52.30 N ATOM 107 CA PRO A 4 8.125 7.161 -10.013 1.00 34.35 C ATOM 108 C PRO A 4 8.796 7.905 -8.863 1.00 51.22 C ATOM 109 O PRO A 4 8.633 9.117 -8.717 1.00 35.51 O ATOM 110 CB PRO A 4 9.153 6.324 -10.779 1.00 43.24 C ATOM 111 CG PRO A 4 9.573 7.189 -11.917 1.00 3.33 C ATOM 112 CD PRO A 4 8.363 7.998 -12.291 1.00 44.44 C ATOM 0 HA PRO A 4 7.335 6.571 -9.548 1.00 34.35 H new ATOM 0 HB2 PRO A 4 10.001 6.063 -10.146 1.00 43.24 H new ATOM 0 HB3 PRO A 4 8.718 5.389 -11.132 1.00 43.24 H new ATOM 0 HG2 PRO A 4 10.402 7.836 -11.630 1.00 3.33 H new ATOM 0 HG3 PRO A 4 9.915 6.587 -12.759 1.00 3.33 H new ATOM 0 HD2 PRO A 4 8.638 8.989 -12.651 1.00 44.44 H new ATOM 0 HD3 PRO A 4 7.788 7.519 -13.084 1.00 44.44 H new ATOM 117 N LEU A 5 9.551 7.174 -8.051 1.00 42.01 N ATOM 118 CA LEU A 5 10.248 7.766 -6.915 1.00 34.42 C ATOM 119 C LEU A 5 11.748 7.501 -6.997 1.00 34.30 C ATOM 120 O LEU A 5 12.516 7.952 -6.147 1.00 45.12 O ATOM 121 CB LEU A 5 9.691 7.208 -5.603 1.00 23.42 C ATOM 122 CG LEU A 5 9.426 5.702 -5.574 1.00 64.42 C ATOM 123 CD1 LEU A 5 8.166 5.366 -6.356 1.00 61.04 C ATOM 124 CD2 LEU A 5 10.620 4.939 -6.128 1.00 74.14 C ATOM 0 H LEU A 5 9.696 6.170 -8.158 1.00 42.01 H new ATOM 0 HA LEU A 5 10.087 8.844 -6.943 1.00 34.42 H new ATOM 0 HB2 LEU A 5 10.390 7.449 -4.803 1.00 23.42 H new ATOM 0 HB3 LEU A 5 8.758 7.725 -5.378 1.00 23.42 H new ATOM 0 HG LEU A 5 9.277 5.399 -4.538 1.00 64.42 H new ATOM 0 HD11 LEU A 5 7.994 4.290 -6.324 1.00 61.04 H new ATOM 0 HD12 LEU A 5 7.314 5.883 -5.914 1.00 61.04 H new ATOM 0 HD13 LEU A 5 8.285 5.684 -7.392 1.00 61.04 H new ATOM 0 HD21 LEU A 5 10.413 3.869 -6.099 1.00 74.14 H new ATOM 0 HD22 LEU A 5 10.802 5.246 -7.158 1.00 74.14 H new ATOM 0 HD23 LEU A 5 11.501 5.154 -5.524 1.00 74.14 H new ATOM 135 N GLY A 6 12.158 6.768 -8.027 1.00 1.24 N ATOM 136 CA GLY A 6 13.566 6.457 -8.202 1.00 41.24 C ATOM 137 C GLY A 6 13.844 5.754 -9.516 1.00 14.20 C ATOM 138 O GLY A 6 14.767 4.945 -9.611 1.00 1.24 O ATOM 0 H GLY A 6 11.542 6.384 -8.743 1.00 1.24 H new ATOM 0 HA2 GLY A 6 14.147 7.378 -8.156 1.00 41.24 H new ATOM 0 HA3 GLY A 6 13.901 5.827 -7.378 1.00 41.24 H new ATOM 142 N LEU A 7 13.045 6.062 -10.531 1.00 52.03 N ATOM 143 CA LEU A 7 13.209 5.452 -11.846 1.00 13.21 C ATOM 144 C LEU A 7 13.325 6.520 -12.930 1.00 30.21 C ATOM 145 O LEU A 7 13.175 6.233 -14.118 1.00 11.14 O ATOM 146 CB LEU A 7 12.031 4.525 -12.152 1.00 53.03 C ATOM 147 CG LEU A 7 11.846 3.341 -11.204 1.00 73.51 C ATOM 148 CD1 LEU A 7 10.553 2.604 -11.515 1.00 23.34 C ATOM 149 CD2 LEU A 7 13.035 2.395 -11.292 1.00 12.00 C ATOM 0 H LEU A 7 12.277 6.730 -10.469 1.00 52.03 H new ATOM 0 HA LEU A 7 14.129 4.868 -11.836 1.00 13.21 H new ATOM 0 HB2 LEU A 7 11.116 5.118 -12.144 1.00 53.03 H new ATOM 0 HB3 LEU A 7 12.152 4.139 -13.164 1.00 53.03 H new ATOM 0 HG LEU A 7 11.786 3.724 -10.185 1.00 73.51 H new ATOM 0 HD11 LEU A 7 10.439 1.764 -10.830 1.00 23.34 H new ATOM 0 HD12 LEU A 7 9.709 3.284 -11.399 1.00 23.34 H new ATOM 0 HD13 LEU A 7 10.582 2.234 -12.540 1.00 23.34 H new ATOM 0 HD21 LEU A 7 12.885 1.558 -10.610 1.00 12.00 H new ATOM 0 HD22 LEU A 7 13.127 2.020 -12.311 1.00 12.00 H new ATOM 0 HD23 LEU A 7 13.945 2.928 -11.018 1.00 12.00 H new ATOM 160 N LYS A 8 13.596 7.752 -12.513 1.00 25.14 N ATOM 161 CA LYS A 8 13.736 8.863 -13.447 1.00 4.43 C ATOM 162 C LYS A 8 14.942 9.726 -13.088 1.00 41.14 C ATOM 163 O LYS A 8 15.978 9.666 -13.748 1.00 31.11 O ATOM 164 CB LYS A 8 12.466 9.716 -13.452 1.00 34.33 C ATOM 165 CG LYS A 8 11.567 9.463 -14.649 1.00 72.05 C ATOM 166 CD LYS A 8 11.124 10.763 -15.298 1.00 10.32 C ATOM 167 CE LYS A 8 12.228 11.362 -16.156 1.00 12.34 C ATOM 168 NZ LYS A 8 11.903 11.293 -17.608 1.00 31.41 N ATOM 0 H LYS A 8 13.723 8.007 -11.533 1.00 25.14 H new ATOM 0 HA LYS A 8 13.891 8.450 -14.444 1.00 4.43 H new ATOM 0 HB2 LYS A 8 11.904 9.521 -12.539 1.00 34.33 H new ATOM 0 HB3 LYS A 8 12.746 10.769 -13.435 1.00 34.33 H new ATOM 0 HG2 LYS A 8 12.096 8.852 -15.380 1.00 72.05 H new ATOM 0 HG3 LYS A 8 10.691 8.896 -14.334 1.00 72.05 H new ATOM 0 HD2 LYS A 8 10.242 10.582 -15.912 1.00 10.32 H new ATOM 0 HD3 LYS A 8 10.834 11.476 -14.526 1.00 10.32 H new ATOM 0 HE2 LYS A 8 12.387 12.401 -15.869 1.00 12.34 H new ATOM 0 HE3 LYS A 8 13.162 10.832 -15.968 1.00 12.34 H new ATOM 0 HZ1 LYS A 8 12.680 11.711 -18.158 1.00 31.41 H new ATOM 0 HZ2 LYS A 8 11.776 10.300 -17.888 1.00 31.41 H new ATOM 0 HZ3 LYS A 8 11.026 11.820 -17.793 1.00 31.41 H new ATOM 178 N ASN A 9 14.797 10.528 -12.039 1.00 34.53 N ATOM 179 CA ASN A 9 15.875 11.402 -11.591 1.00 54.41 C ATOM 180 C ASN A 9 16.208 11.149 -10.124 1.00 51.11 C ATOM 181 O ASN A 9 17.366 11.238 -9.716 1.00 64.10 O ATOM 182 CB ASN A 9 15.485 12.870 -11.791 1.00 24.35 C ATOM 183 CG ASN A 9 16.107 13.467 -13.038 1.00 72.14 C ATOM 184 OD1 ASN A 9 15.424 13.701 -14.035 1.00 71.45 O ATOM 185 ND2 ASN A 9 17.410 13.718 -12.986 1.00 55.24 N ATOM 0 H ASN A 9 13.944 10.591 -11.483 1.00 34.53 H new ATOM 0 HA ASN A 9 16.760 11.182 -12.189 1.00 54.41 H new ATOM 0 HB2 ASN A 9 14.400 12.950 -11.855 1.00 24.35 H new ATOM 0 HB3 ASN A 9 15.796 13.448 -10.921 1.00 24.35 H new ATOM 0 HD21 ASN A 9 17.884 14.121 -13.794 1.00 55.24 H new ATOM 0 HD22 ASN A 9 17.936 13.508 -12.138 1.00 55.24 H new ATOM 191 N ASN A 10 15.185 10.834 -9.336 1.00 4.51 N ATOM 192 CA ASN A 10 15.370 10.566 -7.915 1.00 73.34 C ATOM 193 C ASN A 10 16.430 9.492 -7.695 1.00 0.23 C ATOM 194 O ASN A 10 17.320 9.643 -6.857 1.00 3.33 O ATOM 195 CB ASN A 10 14.047 10.131 -7.280 1.00 12.03 C ATOM 196 CG ASN A 10 13.162 11.308 -6.920 1.00 12.31 C ATOM 197 OD1 ASN A 10 13.056 12.268 -7.833 1.00 43.53 O flip ATOM 198 ND2 ASN A 10 12.583 11.355 -5.835 1.00 64.15 N flip ATOM 0 H ASN A 10 14.220 10.758 -9.658 1.00 4.51 H new ATOM 0 HA ASN A 10 15.709 11.486 -7.440 1.00 73.34 H new ATOM 0 HB2 ASN A 10 13.514 9.477 -7.970 1.00 12.03 H new ATOM 0 HB3 ASN A 10 14.253 9.547 -6.383 1.00 12.03 H new ATOM 0 HD21 ASN A 10 12.694 10.594 -5.164 1.00 64.15 H new ATOM 0 HD22 ASN A 10 11.992 12.155 -5.606 1.00 64.15 H new ATOM 204 N THR A 11 16.331 8.406 -8.456 1.00 61.51 N ATOM 205 CA THR A 11 17.281 7.306 -8.345 1.00 65.24 C ATOM 206 C THR A 11 17.457 6.875 -6.894 1.00 75.13 C ATOM 207 O THR A 11 18.577 6.654 -6.434 1.00 1.23 O ATOM 208 CB THR A 11 18.654 7.690 -8.926 1.00 4.05 C ATOM 209 OG1 THR A 11 19.343 8.560 -8.022 1.00 30.13 O ATOM 210 CG2 THR A 11 18.499 8.372 -10.277 1.00 34.53 C ATOM 0 H THR A 11 15.602 8.265 -9.156 1.00 61.51 H new ATOM 0 HA THR A 11 16.871 6.475 -8.919 1.00 65.24 H new ATOM 0 HB THR A 11 19.234 6.777 -9.063 1.00 4.05 H new ATOM 0 HG1 THR A 11 18.691 9.061 -7.489 1.00 30.13 H new ATOM 0 HG21 THR A 11 19.482 8.634 -10.667 1.00 34.53 H new ATOM 0 HG22 THR A 11 18.001 7.695 -10.971 1.00 34.53 H new ATOM 0 HG23 THR A 11 17.902 9.277 -10.162 1.00 34.53 H new ATOM 218 N ILE A 12 16.344 6.759 -6.177 1.00 22.32 N ATOM 219 CA ILE A 12 16.377 6.354 -4.777 1.00 4.14 C ATOM 220 C ILE A 12 16.608 4.852 -4.645 1.00 43.13 C ATOM 221 O ILE A 12 15.936 4.037 -5.278 1.00 71.04 O ATOM 222 CB ILE A 12 15.071 6.726 -4.052 1.00 13.10 C ATOM 223 CG1 ILE A 12 14.973 8.243 -3.877 1.00 11.32 C ATOM 224 CG2 ILE A 12 14.995 6.027 -2.703 1.00 22.22 C ATOM 225 CD1 ILE A 12 15.996 8.807 -2.916 1.00 34.42 C ATOM 0 H ILE A 12 15.409 6.940 -6.542 1.00 22.32 H new ATOM 0 HA ILE A 12 17.205 6.890 -4.313 1.00 4.14 H new ATOM 0 HB ILE A 12 14.229 6.393 -4.660 1.00 13.10 H new ATOM 0 HG12 ILE A 12 15.096 8.722 -4.849 1.00 11.32 H new ATOM 0 HG13 ILE A 12 13.974 8.496 -3.522 1.00 11.32 H new ATOM 0 HG21 ILE A 12 14.066 6.301 -2.203 1.00 22.22 H new ATOM 0 HG22 ILE A 12 15.023 4.947 -2.851 1.00 22.22 H new ATOM 0 HG23 ILE A 12 15.841 6.331 -2.087 1.00 22.22 H new ATOM 0 HD11 ILE A 12 15.868 9.887 -2.841 1.00 34.42 H new ATOM 0 HD12 ILE A 12 15.859 8.356 -1.933 1.00 34.42 H new ATOM 0 HD13 ILE A 12 16.999 8.585 -3.281 1.00 34.42 H new ATOM 236 N PRO A 13 17.580 4.474 -3.802 1.00 33.41 N ATOM 237 CA PRO A 13 17.921 3.068 -3.565 1.00 52.13 C ATOM 238 C PRO A 13 16.832 2.330 -2.794 1.00 50.23 C ATOM 239 O PRO A 13 15.716 2.829 -2.647 1.00 32.54 O ATOM 240 CB PRO A 13 19.202 3.149 -2.732 1.00 11.43 C ATOM 241 CG PRO A 13 19.132 4.475 -2.056 1.00 21.41 C ATOM 242 CD PRO A 13 18.421 5.392 -3.014 1.00 24.24 C ATOM 0 HA PRO A 13 18.036 2.514 -4.497 1.00 52.13 H new ATOM 0 HB2 PRO A 13 19.254 2.337 -2.006 1.00 11.43 H new ATOM 0 HB3 PRO A 13 20.089 3.072 -3.361 1.00 11.43 H new ATOM 0 HG2 PRO A 13 18.593 4.403 -1.111 1.00 21.41 H new ATOM 0 HG3 PRO A 13 20.130 4.849 -1.826 1.00 21.41 H new ATOM 0 HD2 PRO A 13 17.822 6.136 -2.489 1.00 24.24 H new ATOM 0 HD3 PRO A 13 19.123 5.936 -3.646 1.00 24.24 H new ATOM 247 N ASP A 14 17.161 1.139 -2.307 1.00 15.42 N ATOM 248 CA ASP A 14 16.211 0.332 -1.550 1.00 13.21 C ATOM 249 C ASP A 14 16.272 0.672 -0.064 1.00 44.44 C ATOM 250 O ASP A 14 16.340 -0.217 0.784 1.00 21.24 O ATOM 251 CB ASP A 14 16.495 -1.157 -1.757 1.00 51.44 C ATOM 252 CG ASP A 14 16.738 -1.502 -3.213 1.00 44.32 C ATOM 253 OD1 ASP A 14 17.879 -1.312 -3.685 1.00 64.32 O ATOM 254 OD2 ASP A 14 15.788 -1.961 -3.882 1.00 72.43 O ATOM 0 H ASP A 14 18.079 0.710 -2.423 1.00 15.42 H new ATOM 0 HA ASP A 14 15.209 0.557 -1.915 1.00 13.21 H new ATOM 0 HB2 ASP A 14 17.367 -1.443 -1.168 1.00 51.44 H new ATOM 0 HB3 ASP A 14 15.653 -1.740 -1.384 1.00 51.44 H new ATOM 258 N SER A 15 16.247 1.965 0.244 1.00 43.23 N ATOM 259 CA SER A 15 16.304 2.423 1.627 1.00 43.23 C ATOM 260 C SER A 15 15.050 3.212 1.990 1.00 54.23 C ATOM 261 O SER A 15 15.023 3.929 2.990 1.00 2.04 O ATOM 262 CB SER A 15 17.546 3.288 1.849 1.00 31.02 C ATOM 263 OG SER A 15 18.658 2.495 2.230 1.00 61.34 O ATOM 0 H SER A 15 16.188 2.714 -0.446 1.00 43.23 H new ATOM 0 HA SER A 15 16.360 1.546 2.272 1.00 43.23 H new ATOM 0 HB2 SER A 15 17.781 3.834 0.935 1.00 31.02 H new ATOM 0 HB3 SER A 15 17.343 4.030 2.621 1.00 31.02 H new ATOM 0 HG SER A 15 19.440 3.071 2.364 1.00 61.34 H new ATOM 268 N GLN A 16 14.014 3.075 1.169 1.00 32.52 N ATOM 269 CA GLN A 16 12.756 3.775 1.402 1.00 33.44 C ATOM 270 C GLN A 16 11.701 2.828 1.963 1.00 24.45 C ATOM 271 O GLN A 16 10.959 3.181 2.879 1.00 20.24 O ATOM 272 CB GLN A 16 12.252 4.409 0.105 1.00 72.12 C ATOM 273 CG GLN A 16 12.051 3.409 -1.022 1.00 71.13 C ATOM 274 CD GLN A 16 11.642 4.071 -2.323 1.00 0.04 C ATOM 275 OE1 GLN A 16 12.239 5.063 -2.742 1.00 14.12 O ATOM 276 NE2 GLN A 16 10.621 3.524 -2.971 1.00 70.32 N ATOM 0 H GLN A 16 14.021 2.486 0.336 1.00 32.52 H new ATOM 0 HA GLN A 16 12.938 4.561 2.135 1.00 33.44 H new ATOM 0 HB2 GLN A 16 11.308 4.917 0.302 1.00 72.12 H new ATOM 0 HB3 GLN A 16 12.962 5.170 -0.218 1.00 72.12 H new ATOM 0 HG2 GLN A 16 12.975 2.851 -1.177 1.00 71.13 H new ATOM 0 HG3 GLN A 16 11.288 2.687 -0.730 1.00 71.13 H new ATOM 0 HE21 GLN A 16 10.155 2.702 -2.587 1.00 70.32 H new ATOM 0 HE22 GLN A 16 10.302 3.926 -3.853 1.00 70.32 H new ATOM 283 N MET A 17 11.640 1.622 1.406 1.00 62.21 N ATOM 284 CA MET A 17 10.675 0.623 1.851 1.00 34.54 C ATOM 285 C MET A 17 11.274 -0.264 2.939 1.00 34.15 C ATOM 286 O MET A 17 12.491 -0.431 3.016 1.00 34.52 O ATOM 287 CB MET A 17 10.217 -0.237 0.672 1.00 13.13 C ATOM 288 CG MET A 17 8.839 0.134 0.149 1.00 23.25 C ATOM 289 SD MET A 17 8.579 -0.393 -1.555 1.00 40.51 S ATOM 290 CE MET A 17 6.987 -1.204 -1.420 1.00 54.54 C ATOM 0 H MET A 17 12.247 1.313 0.646 1.00 62.21 H new ATOM 0 HA MET A 17 9.813 1.146 2.265 1.00 34.54 H new ATOM 0 HB2 MET A 17 10.941 -0.145 -0.138 1.00 13.13 H new ATOM 0 HB3 MET A 17 10.211 -1.284 0.977 1.00 13.13 H new ATOM 0 HG2 MET A 17 8.079 -0.319 0.785 1.00 23.25 H new ATOM 0 HG3 MET A 17 8.708 1.214 0.215 1.00 23.25 H new ATOM 0 HE1 MET A 17 6.518 -1.252 -2.403 1.00 54.54 H new ATOM 0 HE2 MET A 17 7.125 -2.214 -1.034 1.00 54.54 H new ATOM 0 HE3 MET A 17 6.348 -0.640 -0.740 1.00 54.54 H new ATOM 298 N SER A 18 10.411 -0.828 3.778 1.00 22.21 N ATOM 299 CA SER A 18 10.855 -1.694 4.864 1.00 3.12 C ATOM 300 C SER A 18 9.665 -2.352 5.556 1.00 74.13 C ATOM 301 O SER A 18 8.804 -1.672 6.113 1.00 41.15 O ATOM 302 CB SER A 18 11.673 -0.895 5.880 1.00 51.10 C ATOM 303 OG SER A 18 11.278 0.467 5.894 1.00 2.14 O ATOM 0 H SER A 18 9.400 -0.701 3.727 1.00 22.21 H new ATOM 0 HA SER A 18 11.483 -2.476 4.438 1.00 3.12 H new ATOM 0 HB2 SER A 18 11.545 -1.325 6.874 1.00 51.10 H new ATOM 0 HB3 SER A 18 12.733 -0.967 5.636 1.00 51.10 H new ATOM 0 HG SER A 18 10.300 0.524 5.871 1.00 2.14 H new ATOM 308 N ALA A 19 9.625 -3.680 5.515 1.00 51.14 N ATOM 309 CA ALA A 19 8.543 -4.430 6.140 1.00 64.01 C ATOM 310 C ALA A 19 9.074 -5.364 7.220 1.00 22.35 C ATOM 311 O ALA A 19 10.265 -5.351 7.536 1.00 43.24 O ATOM 312 CB ALA A 19 7.773 -5.218 5.089 1.00 21.54 C ATOM 0 H ALA A 19 10.329 -4.258 5.056 1.00 51.14 H new ATOM 0 HA ALA A 19 7.867 -3.718 6.614 1.00 64.01 H new ATOM 0 HB1 ALA A 19 6.967 -5.774 5.569 1.00 21.54 H new ATOM 0 HB2 ALA A 19 7.352 -4.531 4.355 1.00 21.54 H new ATOM 0 HB3 ALA A 19 8.447 -5.914 4.590 1.00 21.54 H new ATOM 318 N SER A 20 8.186 -6.176 7.785 1.00 35.10 N ATOM 319 CA SER A 20 8.566 -7.114 8.835 1.00 12.10 C ATOM 320 C SER A 20 9.763 -7.957 8.403 1.00 52.41 C ATOM 321 O SER A 20 10.651 -8.249 9.204 1.00 45.44 O ATOM 322 CB SER A 20 7.388 -8.024 9.185 1.00 62.24 C ATOM 323 OG SER A 20 7.488 -8.499 10.517 1.00 22.03 O ATOM 0 H SER A 20 7.198 -6.203 7.533 1.00 35.10 H new ATOM 0 HA SER A 20 8.847 -6.539 9.717 1.00 12.10 H new ATOM 0 HB2 SER A 20 6.453 -7.478 9.060 1.00 62.24 H new ATOM 0 HB3 SER A 20 7.359 -8.868 8.496 1.00 62.24 H new ATOM 0 HG SER A 20 6.722 -9.077 10.717 1.00 22.03 H new ATOM 328 N SER A 21 9.778 -8.343 7.131 1.00 35.04 N ATOM 329 CA SER A 21 10.864 -9.155 6.592 1.00 60.03 C ATOM 330 C SER A 21 10.525 -9.652 5.191 1.00 25.31 C ATOM 331 O SER A 21 9.461 -9.348 4.652 1.00 1.22 O ATOM 332 CB SER A 21 11.146 -10.342 7.514 1.00 33.34 C ATOM 333 OG SER A 21 12.259 -10.084 8.352 1.00 42.31 O ATOM 0 H SER A 21 9.052 -8.107 6.455 1.00 35.04 H new ATOM 0 HA SER A 21 11.757 -8.532 6.531 1.00 60.03 H new ATOM 0 HB2 SER A 21 10.267 -10.549 8.125 1.00 33.34 H new ATOM 0 HB3 SER A 21 11.336 -11.234 6.916 1.00 33.34 H new ATOM 0 HG SER A 21 12.067 -9.310 8.922 1.00 42.31 H new ATOM 338 N SER A 22 11.438 -10.422 4.607 1.00 44.22 N ATOM 339 CA SER A 22 11.239 -10.960 3.266 1.00 20.10 C ATOM 340 C SER A 22 11.340 -12.483 3.271 1.00 14.44 C ATOM 341 O SER A 22 11.948 -13.073 4.166 1.00 41.45 O ATOM 342 CB SER A 22 12.268 -10.373 2.299 1.00 35.42 C ATOM 343 OG SER A 22 12.607 -9.044 2.660 1.00 45.32 O ATOM 0 H SER A 22 12.322 -10.687 5.041 1.00 44.22 H new ATOM 0 HA SER A 22 10.239 -10.680 2.934 1.00 20.10 H new ATOM 0 HB2 SER A 22 13.165 -10.993 2.297 1.00 35.42 H new ATOM 0 HB3 SER A 22 11.868 -10.387 1.285 1.00 35.42 H new ATOM 0 HG SER A 22 13.267 -8.692 2.028 1.00 45.32 H new ATOM 348 N TYR A 23 10.742 -13.113 2.267 1.00 41.34 N ATOM 349 CA TYR A 23 10.762 -14.566 2.156 1.00 3.23 C ATOM 350 C TYR A 23 12.184 -15.103 2.288 1.00 3.11 C ATOM 351 O TYR A 23 13.155 -14.395 2.023 1.00 13.40 O ATOM 352 CB TYR A 23 10.161 -15.005 0.819 1.00 15.35 C ATOM 353 CG TYR A 23 11.084 -14.791 -0.359 1.00 4.45 C ATOM 354 CD1 TYR A 23 11.507 -13.516 -0.713 1.00 11.13 C ATOM 355 CD2 TYR A 23 11.535 -15.865 -1.118 1.00 42.21 C ATOM 356 CE1 TYR A 23 12.350 -13.316 -1.789 1.00 51.33 C ATOM 357 CE2 TYR A 23 12.379 -15.674 -2.195 1.00 21.14 C ATOM 358 CZ TYR A 23 12.784 -14.398 -2.526 1.00 24.40 C ATOM 359 OH TYR A 23 13.624 -14.204 -3.598 1.00 4.42 O ATOM 0 H TYR A 23 10.237 -12.640 1.518 1.00 41.34 H new ATOM 0 HA TYR A 23 10.162 -14.975 2.968 1.00 3.23 H new ATOM 0 HB2 TYR A 23 9.899 -16.061 0.877 1.00 15.35 H new ATOM 0 HB3 TYR A 23 9.235 -14.456 0.649 1.00 15.35 H new ATOM 0 HD1 TYR A 23 11.171 -12.666 -0.137 1.00 11.13 H new ATOM 0 HD2 TYR A 23 11.220 -16.866 -0.861 1.00 42.21 H new ATOM 0 HE1 TYR A 23 12.668 -12.318 -2.052 1.00 51.33 H new ATOM 0 HE2 TYR A 23 12.720 -16.519 -2.774 1.00 21.14 H new ATOM 0 HH TYR A 23 13.836 -15.068 -4.008 1.00 4.42 H new ATOM 534 N TYR A 34 16.609 -7.013 -0.155 1.00 73.20 N ATOM 535 CA TYR A 34 15.991 -5.776 0.308 1.00 32.23 C ATOM 536 C TYR A 34 14.733 -5.462 -0.494 1.00 62.45 C ATOM 537 O TYR A 34 14.527 -5.965 -1.598 1.00 42.04 O ATOM 538 CB TYR A 34 16.982 -4.615 0.198 1.00 4.42 C ATOM 539 CG TYR A 34 17.808 -4.404 1.446 1.00 1.24 C ATOM 540 CD1 TYR A 34 18.820 -5.293 1.791 1.00 31.51 C ATOM 541 CD2 TYR A 34 17.579 -3.317 2.280 1.00 71.41 C ATOM 542 CE1 TYR A 34 19.577 -5.105 2.931 1.00 1.44 C ATOM 543 CE2 TYR A 34 18.333 -3.120 3.422 1.00 5.01 C ATOM 544 CZ TYR A 34 19.331 -4.017 3.742 1.00 62.33 C ATOM 545 OH TYR A 34 20.083 -3.826 4.879 1.00 54.35 O ATOM 0 HA TYR A 34 15.710 -5.909 1.353 1.00 32.23 H new ATOM 0 HB2 TYR A 34 17.650 -4.797 -0.643 1.00 4.42 H new ATOM 0 HB3 TYR A 34 16.433 -3.700 -0.023 1.00 4.42 H new ATOM 0 HD1 TYR A 34 19.017 -6.145 1.157 1.00 31.51 H new ATOM 0 HD2 TYR A 34 16.798 -2.613 2.032 1.00 71.41 H new ATOM 0 HE1 TYR A 34 20.358 -5.806 3.186 1.00 1.44 H new ATOM 0 HE2 TYR A 34 18.142 -2.269 4.059 1.00 5.01 H new ATOM 0 HH TYR A 34 19.783 -3.013 5.337 1.00 54.35 H new ATOM 554 N PRO A 35 13.867 -4.609 0.076 1.00 3.54 N ATOM 555 CA PRO A 35 12.613 -4.207 -0.568 1.00 42.21 C ATOM 556 C PRO A 35 12.844 -3.315 -1.784 1.00 21.34 C ATOM 557 O PRO A 35 13.982 -3.108 -2.206 1.00 22.03 O ATOM 558 CB PRO A 35 11.883 -3.433 0.532 1.00 50.02 C ATOM 559 CG PRO A 35 12.965 -2.928 1.423 1.00 63.32 C ATOM 560 CD PRO A 35 14.048 -3.971 1.390 1.00 74.21 C ATOM 0 HA PRO A 35 12.057 -5.064 -0.947 1.00 42.21 H new ATOM 0 HB2 PRO A 35 11.297 -2.613 0.117 1.00 50.02 H new ATOM 0 HB3 PRO A 35 11.191 -4.076 1.075 1.00 50.02 H new ATOM 0 HG2 PRO A 35 13.340 -1.965 1.075 1.00 63.32 H new ATOM 0 HG3 PRO A 35 12.597 -2.779 2.438 1.00 63.32 H new ATOM 0 HD2 PRO A 35 15.038 -3.526 1.487 1.00 74.21 H new ATOM 0 HD3 PRO A 35 13.940 -4.688 2.203 1.00 74.21 H new ATOM 565 N HIS A 36 11.759 -2.789 -2.341 1.00 4.11 N ATOM 566 CA HIS A 36 11.845 -1.919 -3.508 1.00 71.24 C ATOM 567 C HIS A 36 12.473 -2.652 -4.689 1.00 24.10 C ATOM 568 O HIS A 36 13.411 -2.156 -5.314 1.00 31.21 O ATOM 569 CB HIS A 36 12.659 -0.667 -3.178 1.00 70.00 C ATOM 570 CG HIS A 36 12.494 0.436 -4.178 1.00 21.21 C ATOM 571 ND1 HIS A 36 11.933 0.245 -5.423 1.00 34.10 N ATOM 572 CD2 HIS A 36 12.818 1.749 -4.110 1.00 23.31 C ATOM 573 CE1 HIS A 36 11.921 1.392 -6.078 1.00 41.32 C ATOM 574 NE2 HIS A 36 12.452 2.320 -5.303 1.00 50.02 N ATOM 0 H HIS A 36 10.810 -2.950 -2.003 1.00 4.11 H new ATOM 0 HA HIS A 36 10.833 -1.623 -3.785 1.00 71.24 H new ATOM 0 HB2 HIS A 36 12.365 -0.301 -2.194 1.00 70.00 H new ATOM 0 HB3 HIS A 36 13.714 -0.935 -3.116 1.00 70.00 H new ATOM 0 HD2 HIS A 36 13.279 2.253 -3.273 1.00 23.31 H new ATOM 0 HE1 HIS A 36 11.541 1.545 -7.077 1.00 41.32 H new ATOM 0 HE2 HIS A 36 12.571 3.302 -5.551 1.00 50.02 H new ATOM 581 N LEU A 37 11.951 -3.837 -4.990 1.00 75.35 N ATOM 582 CA LEU A 37 12.461 -4.639 -6.095 1.00 11.42 C ATOM 583 C LEU A 37 11.557 -4.520 -7.318 1.00 55.11 C ATOM 584 O LEU A 37 12.005 -4.684 -8.452 1.00 23.01 O ATOM 585 CB LEU A 37 12.578 -6.105 -5.675 1.00 63.25 C ATOM 586 CG LEU A 37 13.198 -6.362 -4.301 1.00 22.33 C ATOM 587 CD1 LEU A 37 12.562 -7.580 -3.648 1.00 35.23 C ATOM 588 CD2 LEU A 37 14.704 -6.545 -4.422 1.00 20.44 C ATOM 0 H LEU A 37 11.175 -4.263 -4.483 1.00 75.35 H new ATOM 0 HA LEU A 37 13.449 -4.262 -6.359 1.00 11.42 H new ATOM 0 HB2 LEU A 37 11.582 -6.547 -5.690 1.00 63.25 H new ATOM 0 HB3 LEU A 37 13.172 -6.630 -6.423 1.00 63.25 H new ATOM 0 HG LEU A 37 13.007 -5.495 -3.669 1.00 22.33 H new ATOM 0 HD11 LEU A 37 13.016 -7.748 -2.671 1.00 35.23 H new ATOM 0 HD12 LEU A 37 11.492 -7.411 -3.527 1.00 35.23 H new ATOM 0 HD13 LEU A 37 12.722 -8.455 -4.277 1.00 35.23 H new ATOM 0 HD21 LEU A 37 15.129 -6.727 -3.435 1.00 20.44 H new ATOM 0 HD22 LEU A 37 14.916 -7.395 -5.071 1.00 20.44 H new ATOM 0 HD23 LEU A 37 15.147 -5.644 -4.847 1.00 20.44 H new ATOM 599 N GLY A 38 10.282 -4.228 -7.079 1.00 21.41 N ATOM 600 CA GLY A 38 9.335 -4.089 -8.170 1.00 0.51 C ATOM 601 C GLY A 38 9.831 -3.149 -9.251 1.00 21.24 C ATOM 602 O GLY A 38 9.412 -3.243 -10.405 1.00 24.44 O ATOM 0 H GLY A 38 9.888 -4.085 -6.149 1.00 21.41 H new ATOM 0 HA2 GLY A 38 9.141 -5.069 -8.606 1.00 0.51 H new ATOM 0 HA3 GLY A 38 8.387 -3.720 -7.779 1.00 0.51 H new ATOM 606 N ARG A 39 10.726 -2.241 -8.878 1.00 14.22 N ATOM 607 CA ARG A 39 11.277 -1.277 -9.824 1.00 22.53 C ATOM 608 C ARG A 39 11.732 -1.973 -11.104 1.00 32.14 C ATOM 609 O ARG A 39 11.899 -3.193 -11.135 1.00 53.21 O ATOM 610 CB ARG A 39 12.451 -0.526 -9.194 1.00 32.44 C ATOM 611 CG ARG A 39 13.633 -1.420 -8.852 1.00 41.21 C ATOM 612 CD ARG A 39 14.878 -0.603 -8.541 1.00 44.20 C ATOM 613 NE ARG A 39 14.941 -0.216 -7.135 1.00 13.54 N ATOM 614 CZ ARG A 39 16.039 0.250 -6.550 1.00 32.34 C ATOM 615 NH1 ARG A 39 17.159 0.384 -7.247 1.00 32.31 N ATOM 616 NH2 ARG A 39 16.018 0.581 -5.265 1.00 51.44 N ATOM 0 H ARG A 39 11.086 -2.152 -7.928 1.00 14.22 H new ATOM 0 HA ARG A 39 10.493 -0.564 -10.077 1.00 22.53 H new ATOM 0 HB2 ARG A 39 12.782 0.254 -9.880 1.00 32.44 H new ATOM 0 HB3 ARG A 39 12.108 -0.028 -8.287 1.00 32.44 H new ATOM 0 HG2 ARG A 39 13.382 -2.044 -7.994 1.00 41.21 H new ATOM 0 HG3 ARG A 39 13.836 -2.091 -9.686 1.00 41.21 H new ATOM 0 HD2 ARG A 39 15.765 -1.182 -8.798 1.00 44.20 H new ATOM 0 HD3 ARG A 39 14.890 0.291 -9.164 1.00 44.20 H new ATOM 0 HE ARG A 39 14.096 -0.308 -6.571 1.00 13.54 H new ATOM 0 HH11 ARG A 39 17.179 0.129 -8.234 1.00 32.31 H new ATOM 0 HH12 ARG A 39 18.001 0.742 -6.796 1.00 32.31 H new ATOM 0 HH21 ARG A 39 15.158 0.478 -4.726 1.00 51.44 H new ATOM 0 HH22 ARG A 39 16.861 0.939 -4.817 1.00 51.44 H new ATOM 627 N LEU A 40 11.931 -1.189 -12.157 1.00 44.11 N ATOM 628 CA LEU A 40 12.366 -1.729 -13.441 1.00 0.33 C ATOM 629 C LEU A 40 13.886 -1.676 -13.567 1.00 64.43 C ATOM 630 O LEU A 40 14.420 -1.424 -14.647 1.00 32.10 O ATOM 631 CB LEU A 40 11.720 -0.951 -14.589 1.00 34.13 C ATOM 632 CG LEU A 40 11.782 0.574 -14.484 1.00 60.03 C ATOM 633 CD1 LEU A 40 12.504 1.163 -15.686 1.00 41.25 C ATOM 634 CD2 LEU A 40 10.381 1.156 -14.363 1.00 75.42 C ATOM 0 H LEU A 40 11.798 -0.178 -12.148 1.00 44.11 H new ATOM 0 HA LEU A 40 12.051 -2.771 -13.495 1.00 0.33 H new ATOM 0 HB2 LEU A 40 12.200 -1.251 -15.520 1.00 34.13 H new ATOM 0 HB3 LEU A 40 10.674 -1.248 -14.660 1.00 34.13 H new ATOM 0 HG LEU A 40 12.342 0.836 -13.586 1.00 60.03 H new ATOM 0 HD11 LEU A 40 12.538 2.249 -15.594 1.00 41.25 H new ATOM 0 HD12 LEU A 40 13.520 0.770 -15.729 1.00 41.25 H new ATOM 0 HD13 LEU A 40 11.972 0.893 -16.598 1.00 41.25 H new ATOM 0 HD21 LEU A 40 10.443 2.242 -14.289 1.00 75.42 H new ATOM 0 HD22 LEU A 40 9.797 0.885 -15.243 1.00 75.42 H new ATOM 0 HD23 LEU A 40 9.898 0.759 -13.470 1.00 75.42 H new ATOM 645 N ASP A 41 14.574 -1.919 -12.457 1.00 42.51 N ATOM 646 CA ASP A 41 16.032 -1.903 -12.444 1.00 13.20 C ATOM 647 C ASP A 41 16.584 -3.128 -11.722 1.00 60.55 C ATOM 648 O ASP A 41 17.793 -3.267 -11.547 1.00 55.23 O ATOM 649 CB ASP A 41 16.543 -0.627 -11.771 1.00 12.43 C ATOM 650 CG ASP A 41 18.041 -0.448 -11.932 1.00 60.15 C ATOM 651 OD1 ASP A 41 18.507 -0.362 -13.087 1.00 43.44 O ATOM 652 OD2 ASP A 41 18.745 -0.391 -10.903 1.00 64.34 O ATOM 0 H ASP A 41 14.146 -2.129 -11.555 1.00 42.51 H new ATOM 0 HA ASP A 41 16.379 -1.925 -13.477 1.00 13.20 H new ATOM 0 HB2 ASP A 41 16.029 0.235 -12.196 1.00 12.43 H new ATOM 0 HB3 ASP A 41 16.295 -0.655 -10.710 1.00 12.43 H new ATOM 656 N ASN A 42 15.685 -4.015 -11.305 1.00 23.14 N ATOM 657 CA ASN A 42 16.082 -5.229 -10.600 1.00 24.41 C ATOM 658 C ASN A 42 16.479 -6.324 -11.585 1.00 3.24 C ATOM 659 O ASN A 42 15.720 -6.662 -12.493 1.00 51.34 O ATOM 660 CB ASN A 42 14.940 -5.721 -9.707 1.00 43.32 C ATOM 661 CG ASN A 42 15.145 -5.350 -8.251 1.00 24.31 C ATOM 662 OD1 ASN A 42 15.209 -6.219 -7.381 1.00 62.45 O ATOM 663 ND2 ASN A 42 15.248 -4.055 -7.980 1.00 71.11 N ATOM 0 H ASN A 42 14.679 -3.916 -11.443 1.00 23.14 H new ATOM 0 HA ASN A 42 16.946 -4.993 -9.978 1.00 24.41 H new ATOM 0 HB2 ASN A 42 13.999 -5.297 -10.058 1.00 43.32 H new ATOM 0 HB3 ASN A 42 14.854 -6.804 -9.795 1.00 43.32 H new ATOM 0 HD21 ASN A 42 15.386 -3.745 -7.018 1.00 71.11 H new ATOM 0 HD22 ASN A 42 15.189 -3.370 -8.733 1.00 71.11 H new ATOM 669 N GLN A 43 17.674 -6.876 -11.398 1.00 34.25 N ATOM 670 CA GLN A 43 18.173 -7.933 -12.270 1.00 32.11 C ATOM 671 C GLN A 43 18.112 -9.288 -11.573 1.00 72.24 C ATOM 672 O GLN A 43 18.054 -9.364 -10.347 1.00 72.43 O ATOM 673 CB GLN A 43 19.610 -7.632 -12.701 1.00 40.14 C ATOM 674 CG GLN A 43 20.522 -7.245 -11.549 1.00 24.11 C ATOM 675 CD GLN A 43 20.766 -5.750 -11.474 1.00 24.35 C ATOM 676 OE1 GLN A 43 20.245 -5.069 -10.591 1.00 73.03 O ATOM 677 NE2 GLN A 43 21.563 -5.234 -12.401 1.00 51.43 N ATOM 0 H GLN A 43 18.314 -6.609 -10.650 1.00 34.25 H new ATOM 0 HA GLN A 43 17.536 -7.971 -13.154 1.00 32.11 H new ATOM 0 HB2 GLN A 43 20.022 -8.509 -13.201 1.00 40.14 H new ATOM 0 HB3 GLN A 43 19.599 -6.824 -13.432 1.00 40.14 H new ATOM 0 HG2 GLN A 43 20.081 -7.585 -10.612 1.00 24.11 H new ATOM 0 HG3 GLN A 43 21.477 -7.760 -11.657 1.00 24.11 H new ATOM 0 HE21 GLN A 43 21.973 -5.837 -13.114 1.00 51.43 H new ATOM 0 HE22 GLN A 43 21.766 -4.234 -12.400 1.00 51.43 H new ATOM 684 N GLY A 44 18.125 -10.356 -12.364 1.00 12.34 N ATOM 685 CA GLY A 44 18.072 -11.694 -11.805 1.00 62.13 C ATOM 686 C GLY A 44 16.790 -12.420 -12.163 1.00 70.23 C ATOM 687 O GLY A 44 16.736 -13.149 -13.153 1.00 45.13 O ATOM 0 H GLY A 44 18.171 -10.319 -13.382 1.00 12.34 H new ATOM 0 HA2 GLY A 44 18.925 -12.269 -12.165 1.00 62.13 H new ATOM 0 HA3 GLY A 44 18.162 -11.635 -10.720 1.00 62.13 H new ATOM 691 N LYS A 45 15.754 -12.223 -11.354 1.00 12.11 N ATOM 692 CA LYS A 45 14.466 -12.864 -11.589 1.00 31.45 C ATOM 693 C LYS A 45 13.453 -12.459 -10.522 1.00 11.20 C ATOM 694 O LYS A 45 12.249 -12.424 -10.778 1.00 33.31 O ATOM 695 CB LYS A 45 14.626 -14.386 -11.602 1.00 44.33 C ATOM 696 CG LYS A 45 15.119 -14.958 -10.285 1.00 50.01 C ATOM 697 CD LYS A 45 16.599 -14.683 -10.076 1.00 41.34 C ATOM 698 CE LYS A 45 17.262 -15.785 -9.266 1.00 23.35 C ATOM 699 NZ LYS A 45 18.032 -15.241 -8.113 1.00 40.05 N ATOM 0 H LYS A 45 15.782 -11.624 -10.529 1.00 12.11 H new ATOM 0 HA LYS A 45 14.096 -12.534 -12.560 1.00 31.45 H new ATOM 0 HB2 LYS A 45 13.667 -14.841 -11.850 1.00 44.33 H new ATOM 0 HB3 LYS A 45 15.324 -14.663 -12.392 1.00 44.33 H new ATOM 0 HG2 LYS A 45 14.548 -14.526 -9.463 1.00 50.01 H new ATOM 0 HG3 LYS A 45 14.942 -16.033 -10.265 1.00 50.01 H new ATOM 0 HD2 LYS A 45 17.093 -14.593 -11.043 1.00 41.34 H new ATOM 0 HD3 LYS A 45 16.724 -13.729 -9.564 1.00 41.34 H new ATOM 0 HE2 LYS A 45 16.501 -16.475 -8.901 1.00 23.35 H new ATOM 0 HE3 LYS A 45 17.929 -16.358 -9.910 1.00 23.35 H new ATOM 0 HZ1 LYS A 45 18.889 -15.812 -7.968 1.00 40.05 H new ATOM 0 HZ2 LYS A 45 18.301 -14.256 -8.309 1.00 40.05 H new ATOM 0 HZ3 LYS A 45 17.444 -15.275 -7.256 1.00 40.05 H new ATOM 709 N ILE A 46 13.950 -12.151 -9.329 1.00 41.03 N ATOM 710 CA ILE A 46 13.087 -11.744 -8.226 1.00 24.34 C ATOM 711 C ILE A 46 12.251 -10.527 -8.601 1.00 61.24 C ATOM 712 O ILE A 46 11.051 -10.637 -8.849 1.00 62.41 O ATOM 713 CB ILE A 46 13.905 -11.422 -6.962 1.00 12.21 C ATOM 714 CG1 ILE A 46 14.734 -12.637 -6.539 1.00 43.43 C ATOM 715 CG2 ILE A 46 12.985 -10.983 -5.833 1.00 61.31 C ATOM 716 CD1 ILE A 46 16.212 -12.489 -6.825 1.00 1.12 C ATOM 0 H ILE A 46 14.944 -12.175 -9.101 1.00 41.03 H new ATOM 0 HA ILE A 46 12.425 -12.584 -8.017 1.00 24.34 H new ATOM 0 HB ILE A 46 14.587 -10.602 -7.189 1.00 12.21 H new ATOM 0 HG12 ILE A 46 14.594 -12.808 -5.472 1.00 43.43 H new ATOM 0 HG13 ILE A 46 14.359 -13.520 -7.056 1.00 43.43 H new ATOM 0 HG21 ILE A 46 13.578 -10.759 -4.946 1.00 61.31 H new ATOM 0 HG22 ILE A 46 12.436 -10.092 -6.137 1.00 61.31 H new ATOM 0 HG23 ILE A 46 12.281 -11.783 -5.606 1.00 61.31 H new ATOM 0 HD11 ILE A 46 16.737 -13.387 -6.499 1.00 1.12 H new ATOM 0 HD12 ILE A 46 16.363 -12.348 -7.895 1.00 1.12 H new ATOM 0 HD13 ILE A 46 16.602 -11.625 -6.287 1.00 1.12 H new ATOM 727 N ASN A 47 12.894 -9.365 -8.644 1.00 53.33 N ATOM 728 CA ASN A 47 12.209 -8.125 -8.991 1.00 72.25 C ATOM 729 C ASN A 47 10.820 -8.074 -8.360 1.00 4.23 C ATOM 730 O ASN A 47 9.862 -7.617 -8.981 1.00 42.04 O ATOM 731 CB ASN A 47 12.096 -7.988 -10.511 1.00 13.31 C ATOM 732 CG ASN A 47 11.487 -9.217 -11.158 1.00 11.42 C ATOM 733 OD1 ASN A 47 12.196 -10.049 -11.725 1.00 50.11 O ATOM 734 ND2 ASN A 47 10.167 -9.337 -11.076 1.00 13.41 N ATOM 0 H ASN A 47 13.888 -9.256 -8.443 1.00 53.33 H new ATOM 0 HA ASN A 47 12.796 -7.294 -8.600 1.00 72.25 H new ATOM 0 HB2 ASN A 47 11.488 -7.116 -10.750 1.00 13.31 H new ATOM 0 HB3 ASN A 47 13.086 -7.812 -10.932 1.00 13.31 H new ATOM 0 HD21 ASN A 47 9.701 -10.143 -11.493 1.00 13.41 H new ATOM 0 HD22 ASN A 47 9.619 -8.623 -10.596 1.00 13.41 H new ATOM 740 N ALA A 48 10.721 -8.549 -7.123 1.00 25.03 N ATOM 741 CA ALA A 48 9.451 -8.557 -6.407 1.00 14.04 C ATOM 742 C ALA A 48 9.667 -8.757 -4.911 1.00 63.15 C ATOM 743 O ALA A 48 10.423 -9.634 -4.495 1.00 33.13 O ATOM 744 CB ALA A 48 8.539 -9.641 -6.962 1.00 33.13 C ATOM 0 H ALA A 48 11.505 -8.933 -6.596 1.00 25.03 H new ATOM 0 HA ALA A 48 8.973 -7.588 -6.552 1.00 14.04 H new ATOM 0 HB1 ALA A 48 7.594 -9.635 -6.418 1.00 33.13 H new ATOM 0 HB2 ALA A 48 8.350 -9.452 -8.019 1.00 33.13 H new ATOM 0 HB3 ALA A 48 9.018 -10.613 -6.847 1.00 33.13 H new ATOM 750 N TRP A 49 8.996 -7.940 -4.107 1.00 52.11 N ATOM 751 CA TRP A 49 9.114 -8.027 -2.656 1.00 12.43 C ATOM 752 C TRP A 49 8.128 -9.043 -2.090 1.00 34.14 C ATOM 753 O TRP A 49 6.914 -8.889 -2.230 1.00 32.12 O ATOM 754 CB TRP A 49 8.877 -6.657 -2.020 1.00 73.13 C ATOM 755 CG TRP A 49 9.219 -6.611 -0.562 1.00 74.54 C ATOM 756 CD1 TRP A 49 9.682 -7.642 0.204 1.00 44.12 C ATOM 757 CD2 TRP A 49 9.121 -5.476 0.306 1.00 32.15 C ATOM 758 NE1 TRP A 49 9.880 -7.217 1.496 1.00 70.24 N ATOM 759 CE2 TRP A 49 9.544 -5.892 1.584 1.00 51.02 C ATOM 760 CE3 TRP A 49 8.722 -4.149 0.127 1.00 61.24 C ATOM 761 CZ2 TRP A 49 9.574 -5.028 2.675 1.00 14.13 C ATOM 762 CZ3 TRP A 49 8.753 -3.293 1.211 1.00 71.13 C ATOM 763 CH2 TRP A 49 9.178 -3.734 2.471 1.00 61.41 C ATOM 0 H TRP A 49 8.364 -7.210 -4.435 1.00 52.11 H new ATOM 0 HA TRP A 49 10.125 -8.358 -2.418 1.00 12.43 H new ATOM 0 HB2 TRP A 49 9.471 -5.912 -2.549 1.00 73.13 H new ATOM 0 HB3 TRP A 49 7.831 -6.381 -2.149 1.00 73.13 H new ATOM 0 HD1 TRP A 49 9.866 -8.645 -0.153 1.00 44.12 H new ATOM 0 HE1 TRP A 49 10.222 -7.794 2.264 1.00 70.24 H new ATOM 0 HE3 TRP A 49 8.395 -3.799 -0.841 1.00 61.24 H new ATOM 0 HZ2 TRP A 49 9.898 -5.367 3.648 1.00 14.13 H new ATOM 0 HZ3 TRP A 49 8.444 -2.266 1.085 1.00 71.13 H new ATOM 0 HH2 TRP A 49 9.193 -3.039 3.298 1.00 61.41 H new ATOM 773 N THR A 50 8.656 -10.081 -1.449 1.00 11.23 N ATOM 774 CA THR A 50 7.822 -11.122 -0.863 1.00 62.22 C ATOM 775 C THR A 50 7.825 -11.037 0.660 1.00 12.24 C ATOM 776 O THR A 50 8.660 -10.352 1.250 1.00 13.01 O ATOM 777 CB THR A 50 8.293 -12.525 -1.288 1.00 44.03 C ATOM 778 OG1 THR A 50 8.943 -12.458 -2.561 1.00 5.40 O ATOM 779 CG2 THR A 50 7.119 -13.490 -1.363 1.00 72.14 C ATOM 0 H THR A 50 9.658 -10.223 -1.323 1.00 11.23 H new ATOM 0 HA THR A 50 6.809 -10.960 -1.231 1.00 62.22 H new ATOM 0 HB THR A 50 8.996 -12.890 -0.540 1.00 44.03 H new ATOM 0 HG1 THR A 50 9.883 -12.716 -2.462 1.00 5.40 H new ATOM 0 HG21 THR A 50 7.476 -14.475 -1.665 1.00 72.14 H new ATOM 0 HG22 THR A 50 6.643 -13.561 -0.385 1.00 72.14 H new ATOM 0 HG23 THR A 50 6.395 -13.127 -2.093 1.00 72.14 H new ATOM 787 N ALA A 51 6.889 -11.738 1.289 1.00 64.25 N ATOM 788 CA ALA A 51 6.786 -11.744 2.743 1.00 51.44 C ATOM 789 C ALA A 51 7.622 -12.867 3.348 1.00 43.32 C ATOM 790 O ALA A 51 8.009 -13.807 2.654 1.00 12.13 O ATOM 791 CB ALA A 51 5.332 -11.877 3.170 1.00 43.31 C ATOM 0 H ALA A 51 6.190 -12.310 0.814 1.00 64.25 H new ATOM 0 HA ALA A 51 7.176 -10.796 3.113 1.00 51.44 H new ATOM 0 HB1 ALA A 51 5.271 -11.880 4.258 1.00 43.31 H new ATOM 0 HB2 ALA A 51 4.759 -11.037 2.777 1.00 43.31 H new ATOM 0 HB3 ALA A 51 4.922 -12.809 2.781 1.00 43.31 H new ATOM 797 N GLN A 52 7.895 -12.763 4.645 1.00 2.30 N ATOM 798 CA GLN A 52 8.687 -13.770 5.341 1.00 52.15 C ATOM 799 C GLN A 52 7.786 -14.794 6.022 1.00 22.34 C ATOM 800 O GLN A 52 7.920 -15.999 5.800 1.00 74.04 O ATOM 801 CB GLN A 52 9.598 -13.107 6.376 1.00 41.32 C ATOM 802 CG GLN A 52 10.274 -14.095 7.313 1.00 51.04 C ATOM 803 CD GLN A 52 9.474 -14.343 8.575 1.00 61.43 C ATOM 804 OE1 GLN A 52 8.834 -15.385 8.725 1.00 12.41 O ATOM 805 NE2 GLN A 52 9.505 -13.385 9.494 1.00 61.34 N ATOM 0 H GLN A 52 7.580 -11.992 5.234 1.00 2.30 H new ATOM 0 HA GLN A 52 9.302 -14.286 4.604 1.00 52.15 H new ATOM 0 HB2 GLN A 52 10.363 -12.529 5.857 1.00 41.32 H new ATOM 0 HB3 GLN A 52 9.012 -12.403 6.966 1.00 41.32 H new ATOM 0 HG2 GLN A 52 10.424 -15.040 6.791 1.00 51.04 H new ATOM 0 HG3 GLN A 52 11.261 -13.718 7.581 1.00 51.04 H new ATOM 0 HE21 GLN A 52 10.048 -12.538 9.329 1.00 61.34 H new ATOM 0 HE22 GLN A 52 8.986 -13.497 10.365 1.00 61.34 H new ATOM 812 N SER A 53 6.868 -14.309 6.852 1.00 62.02 N ATOM 813 CA SER A 53 5.947 -15.184 7.569 1.00 31.13 C ATOM 814 C SER A 53 4.818 -15.651 6.654 1.00 30.12 C ATOM 815 O SER A 53 3.968 -16.442 7.056 1.00 63.42 O ATOM 816 CB SER A 53 5.366 -14.460 8.786 1.00 2.21 C ATOM 817 OG SER A 53 4.524 -15.318 9.536 1.00 45.13 O ATOM 0 H SER A 53 6.742 -13.315 7.045 1.00 62.02 H new ATOM 0 HA SER A 53 6.503 -16.059 7.906 1.00 31.13 H new ATOM 0 HB2 SER A 53 6.176 -14.097 9.418 1.00 2.21 H new ATOM 0 HB3 SER A 53 4.802 -13.587 8.458 1.00 2.21 H new ATOM 0 HG SER A 53 4.046 -15.920 8.928 1.00 45.13 H new ATOM 822 N ASN A 54 4.820 -15.154 5.422 1.00 32.25 N ATOM 823 CA ASN A 54 3.797 -15.519 4.450 1.00 43.41 C ATOM 824 C ASN A 54 2.413 -15.532 5.094 1.00 1.05 C ATOM 825 O ASN A 54 1.565 -16.354 4.749 1.00 62.42 O ATOM 826 CB ASN A 54 4.103 -16.892 3.846 1.00 41.43 C ATOM 827 CG ASN A 54 3.975 -18.011 4.861 1.00 42.32 C ATOM 828 OD1 ASN A 54 5.089 -18.379 5.480 1.00 12.23 O flip ATOM 829 ND2 ASN A 54 2.884 -18.539 5.084 1.00 33.15 N flip ATOM 0 H ASN A 54 5.518 -14.498 5.073 1.00 32.25 H new ATOM 0 HA ASN A 54 3.803 -14.771 3.657 1.00 43.41 H new ATOM 0 HB2 ASN A 54 3.424 -17.080 3.015 1.00 41.43 H new ATOM 0 HB3 ASN A 54 5.114 -16.889 3.438 1.00 41.43 H new ATOM 0 HD21 ASN A 54 2.053 -18.223 4.584 1.00 33.15 H new ATOM 0 HD22 ASN A 54 2.812 -19.292 5.769 1.00 33.15 H new ATOM 835 N SER A 55 2.195 -14.616 6.031 1.00 43.01 N ATOM 836 CA SER A 55 0.917 -14.524 6.727 1.00 41.34 C ATOM 837 C SER A 55 0.392 -13.091 6.711 1.00 72.41 C ATOM 838 O SER A 55 1.048 -12.184 6.200 1.00 63.14 O ATOM 839 CB SER A 55 1.060 -15.011 8.169 1.00 34.32 C ATOM 840 OG SER A 55 -0.205 -15.289 8.743 1.00 60.01 O ATOM 0 H SER A 55 2.887 -13.927 6.326 1.00 43.01 H new ATOM 0 HA SER A 55 0.202 -15.161 6.207 1.00 41.34 H new ATOM 0 HB2 SER A 55 1.678 -15.908 8.193 1.00 34.32 H new ATOM 0 HB3 SER A 55 1.573 -14.254 8.762 1.00 34.32 H new ATOM 0 HG SER A 55 -0.085 -15.600 9.664 1.00 60.01 H new ATOM 845 N ALA A 56 -0.796 -12.897 7.276 1.00 54.51 N ATOM 846 CA ALA A 56 -1.409 -11.575 7.329 1.00 53.31 C ATOM 847 C ALA A 56 -0.823 -10.744 8.466 1.00 70.23 C ATOM 848 O ALA A 56 -1.050 -9.536 8.547 1.00 24.32 O ATOM 849 CB ALA A 56 -2.917 -11.699 7.485 1.00 42.21 C ATOM 0 H ALA A 56 -1.352 -13.638 7.703 1.00 54.51 H new ATOM 0 HA ALA A 56 -1.193 -11.063 6.391 1.00 53.31 H new ATOM 0 HB1 ALA A 56 -3.362 -10.705 7.523 1.00 42.21 H new ATOM 0 HB2 ALA A 56 -3.327 -12.247 6.637 1.00 42.21 H new ATOM 0 HB3 ALA A 56 -3.145 -12.234 8.407 1.00 42.21 H new ATOM 855 N LYS A 57 -0.071 -11.398 9.344 1.00 22.44 N ATOM 856 CA LYS A 57 0.547 -10.721 10.477 1.00 14.41 C ATOM 857 C LYS A 57 1.676 -9.804 10.014 1.00 71.25 C ATOM 858 O LYS A 57 2.192 -9.000 10.789 1.00 30.02 O ATOM 859 CB LYS A 57 1.087 -11.745 11.478 1.00 12.12 C ATOM 860 CG LYS A 57 2.226 -12.589 10.930 1.00 63.22 C ATOM 861 CD LYS A 57 2.197 -13.999 11.497 1.00 60.42 C ATOM 862 CE LYS A 57 3.099 -14.128 12.715 1.00 2.15 C ATOM 863 NZ LYS A 57 3.405 -15.551 13.028 1.00 35.34 N ATOM 0 H LYS A 57 0.125 -12.398 9.292 1.00 22.44 H new ATOM 0 HA LYS A 57 -0.216 -10.113 10.964 1.00 14.41 H new ATOM 0 HB2 LYS A 57 1.430 -11.222 12.371 1.00 12.12 H new ATOM 0 HB3 LYS A 57 0.274 -12.403 11.787 1.00 12.12 H new ATOM 0 HG2 LYS A 57 2.159 -12.631 9.843 1.00 63.22 H new ATOM 0 HG3 LYS A 57 3.179 -12.118 11.172 1.00 63.22 H new ATOM 0 HD2 LYS A 57 1.175 -14.262 11.770 1.00 60.42 H new ATOM 0 HD3 LYS A 57 2.514 -14.707 10.731 1.00 60.42 H new ATOM 0 HE2 LYS A 57 4.028 -13.587 12.538 1.00 2.15 H new ATOM 0 HE3 LYS A 57 2.618 -13.662 13.575 1.00 2.15 H new ATOM 0 HZ1 LYS A 57 4.022 -15.598 13.864 1.00 35.34 H new ATOM 0 HZ2 LYS A 57 2.520 -16.062 13.222 1.00 35.34 H new ATOM 0 HZ3 LYS A 57 3.887 -15.989 12.217 1.00 35.34 H new ATOM 873 N GLU A 58 2.052 -9.931 8.744 1.00 33.40 N ATOM 874 CA GLU A 58 3.118 -9.112 8.180 1.00 64.31 C ATOM 875 C GLU A 58 2.618 -7.703 7.874 1.00 32.43 C ATOM 876 O GLU A 58 1.419 -7.481 7.709 1.00 45.43 O ATOM 877 CB GLU A 58 3.666 -9.758 6.905 1.00 70.30 C ATOM 878 CG GLU A 58 5.183 -9.811 6.854 1.00 1.32 C ATOM 879 CD GLU A 58 5.774 -8.733 5.965 1.00 34.22 C ATOM 880 OE1 GLU A 58 5.966 -7.600 6.456 1.00 3.44 O ATOM 881 OE2 GLU A 58 6.044 -9.022 4.781 1.00 53.30 O ATOM 0 H GLU A 58 1.635 -10.592 8.089 1.00 33.40 H new ATOM 0 HA GLU A 58 3.918 -9.043 8.918 1.00 64.31 H new ATOM 0 HB2 GLU A 58 3.272 -10.771 6.823 1.00 70.30 H new ATOM 0 HB3 GLU A 58 3.301 -9.203 6.041 1.00 70.30 H new ATOM 0 HG2 GLU A 58 5.581 -9.703 7.863 1.00 1.32 H new ATOM 0 HG3 GLU A 58 5.497 -10.789 6.490 1.00 1.32 H new ATOM 886 N TRP A 59 3.546 -6.756 7.803 1.00 15.21 N ATOM 887 CA TRP A 59 3.201 -5.368 7.519 1.00 41.33 C ATOM 888 C TRP A 59 4.332 -4.668 6.772 1.00 71.33 C ATOM 889 O TRP A 59 5.508 -4.875 7.070 1.00 33.14 O ATOM 890 CB TRP A 59 2.892 -4.621 8.817 1.00 2.31 C ATOM 891 CG TRP A 59 3.904 -4.863 9.896 1.00 54.14 C ATOM 892 CD1 TRP A 59 5.200 -4.432 9.915 1.00 21.52 C ATOM 893 CD2 TRP A 59 3.702 -5.591 11.112 1.00 3.34 C ATOM 894 NE1 TRP A 59 5.816 -4.851 11.070 1.00 44.41 N ATOM 895 CE2 TRP A 59 4.919 -5.563 11.821 1.00 52.14 C ATOM 896 CE3 TRP A 59 2.613 -6.264 11.671 1.00 35.40 C ATOM 897 CZ2 TRP A 59 5.074 -6.181 13.059 1.00 25.13 C ATOM 898 CZ3 TRP A 59 2.768 -6.878 12.900 1.00 53.14 C ATOM 899 CH2 TRP A 59 3.991 -6.832 13.583 1.00 63.22 C ATOM 0 H TRP A 59 4.543 -6.924 7.938 1.00 15.21 H new ATOM 0 HA TRP A 59 2.314 -5.363 6.886 1.00 41.33 H new ATOM 0 HB2 TRP A 59 2.841 -3.552 8.610 1.00 2.31 H new ATOM 0 HB3 TRP A 59 1.908 -4.923 9.177 1.00 2.31 H new ATOM 0 HD1 TRP A 59 5.671 -3.848 9.138 1.00 21.52 H new ATOM 0 HE1 TRP A 59 6.785 -4.662 11.326 1.00 44.41 H new ATOM 0 HE3 TRP A 59 1.667 -6.304 11.152 1.00 35.40 H new ATOM 0 HZ2 TRP A 59 6.016 -6.148 13.587 1.00 25.13 H new ATOM 0 HZ3 TRP A 59 1.933 -7.402 13.341 1.00 53.14 H new ATOM 0 HH2 TRP A 59 4.080 -7.320 14.542 1.00 63.22 H new ATOM 909 N LEU A 60 3.968 -3.837 5.801 1.00 43.12 N ATOM 910 CA LEU A 60 4.953 -3.106 5.011 1.00 44.15 C ATOM 911 C LEU A 60 4.942 -1.622 5.366 1.00 71.31 C ATOM 912 O LEU A 60 3.893 -0.980 5.353 1.00 72.24 O ATOM 913 CB LEU A 60 4.674 -3.286 3.518 1.00 61.10 C ATOM 914 CG LEU A 60 5.901 -3.332 2.607 1.00 15.14 C ATOM 915 CD1 LEU A 60 6.103 -4.733 2.052 1.00 64.22 C ATOM 916 CD2 LEU A 60 5.764 -2.323 1.476 1.00 13.10 C ATOM 0 H LEU A 60 2.999 -3.653 5.542 1.00 43.12 H new ATOM 0 HA LEU A 60 5.939 -3.509 5.241 1.00 44.15 H new ATOM 0 HB2 LEU A 60 4.111 -4.210 3.383 1.00 61.10 H new ATOM 0 HB3 LEU A 60 4.032 -2.470 3.188 1.00 61.10 H new ATOM 0 HG LEU A 60 6.778 -3.068 3.198 1.00 15.14 H new ATOM 0 HD11 LEU A 60 6.981 -4.745 1.406 1.00 64.22 H new ATOM 0 HD12 LEU A 60 6.248 -5.433 2.875 1.00 64.22 H new ATOM 0 HD13 LEU A 60 5.225 -5.026 1.477 1.00 64.22 H new ATOM 0 HD21 LEU A 60 6.646 -2.370 0.838 1.00 13.10 H new ATOM 0 HD22 LEU A 60 4.877 -2.555 0.887 1.00 13.10 H new ATOM 0 HD23 LEU A 60 5.670 -1.320 1.893 1.00 13.10 H new ATOM 927 N GLN A 61 6.116 -1.086 5.680 1.00 35.44 N ATOM 928 CA GLN A 61 6.242 0.322 6.037 1.00 71.40 C ATOM 929 C GLN A 61 7.231 1.031 5.118 1.00 53.32 C ATOM 930 O GLN A 61 8.338 0.546 4.889 1.00 10.14 O ATOM 931 CB GLN A 61 6.688 0.463 7.493 1.00 35.34 C ATOM 932 CG GLN A 61 6.627 -0.838 8.277 1.00 15.43 C ATOM 933 CD GLN A 61 7.121 -0.684 9.703 1.00 50.44 C ATOM 934 OE1 GLN A 61 6.510 0.017 10.511 1.00 41.31 O ATOM 935 NE2 GLN A 61 8.231 -1.339 10.019 1.00 41.04 N ATOM 0 H GLN A 61 6.994 -1.605 5.695 1.00 35.44 H new ATOM 0 HA GLN A 61 5.265 0.790 5.917 1.00 71.40 H new ATOM 0 HB2 GLN A 61 7.709 0.844 7.516 1.00 35.34 H new ATOM 0 HB3 GLN A 61 6.060 1.205 7.986 1.00 35.34 H new ATOM 0 HG2 GLN A 61 5.600 -1.202 8.290 1.00 15.43 H new ATOM 0 HG3 GLN A 61 7.227 -1.593 7.768 1.00 15.43 H new ATOM 0 HE21 GLN A 61 8.704 -1.908 9.318 1.00 41.04 H new ATOM 0 HE22 GLN A 61 8.611 -1.273 10.963 1.00 41.04 H new ATOM 942 N VAL A 62 6.823 2.182 4.593 1.00 35.34 N ATOM 943 CA VAL A 62 7.674 2.959 3.699 1.00 32.10 C ATOM 944 C VAL A 62 7.841 4.388 4.203 1.00 21.41 C ATOM 945 O VAL A 62 6.869 5.133 4.319 1.00 71.12 O ATOM 946 CB VAL A 62 7.101 2.994 2.270 1.00 1.40 C ATOM 947 CG1 VAL A 62 8.150 3.492 1.287 1.00 42.24 C ATOM 948 CG2 VAL A 62 6.592 1.618 1.867 1.00 2.43 C ATOM 0 H VAL A 62 5.909 2.597 4.771 1.00 35.34 H new ATOM 0 HA VAL A 62 8.647 2.468 3.681 1.00 32.10 H new ATOM 0 HB VAL A 62 6.260 3.688 2.250 1.00 1.40 H new ATOM 0 HG11 VAL A 62 7.728 3.510 0.282 1.00 42.24 H new ATOM 0 HG12 VAL A 62 8.463 4.498 1.567 1.00 42.24 H new ATOM 0 HG13 VAL A 62 9.012 2.825 1.306 1.00 42.24 H new ATOM 0 HG21 VAL A 62 6.190 1.661 0.855 1.00 2.43 H new ATOM 0 HG22 VAL A 62 7.413 0.902 1.902 1.00 2.43 H new ATOM 0 HG23 VAL A 62 5.807 1.304 2.555 1.00 2.43 H new ATOM 958 N ASP A 63 9.080 4.763 4.500 1.00 11.31 N ATOM 959 CA ASP A 63 9.376 6.104 4.991 1.00 42.42 C ATOM 960 C ASP A 63 10.393 6.799 4.091 1.00 73.01 C ATOM 961 O ASP A 63 11.477 6.272 3.838 1.00 30.31 O ATOM 962 CB ASP A 63 9.904 6.041 6.425 1.00 45.42 C ATOM 963 CG ASP A 63 9.601 7.303 7.209 1.00 14.44 C ATOM 964 OD1 ASP A 63 9.746 8.405 6.639 1.00 4.45 O ATOM 965 OD2 ASP A 63 9.220 7.190 8.393 1.00 3.44 O ATOM 0 H ASP A 63 9.896 4.157 4.409 1.00 11.31 H new ATOM 0 HA ASP A 63 8.452 6.681 4.978 1.00 42.42 H new ATOM 0 HB2 ASP A 63 9.462 5.185 6.935 1.00 45.42 H new ATOM 0 HB3 ASP A 63 10.982 5.879 6.406 1.00 45.42 H new ATOM 969 N LEU A 64 10.037 7.985 3.610 1.00 54.21 N ATOM 970 CA LEU A 64 10.918 8.753 2.737 1.00 1.12 C ATOM 971 C LEU A 64 11.393 10.027 3.429 1.00 43.52 C ATOM 972 O LEU A 64 12.550 10.424 3.294 1.00 73.34 O ATOM 973 CB LEU A 64 10.198 9.104 1.434 1.00 23.14 C ATOM 974 CG LEU A 64 8.671 9.115 1.493 1.00 3.12 C ATOM 975 CD1 LEU A 64 8.104 10.071 0.455 1.00 50.35 C ATOM 976 CD2 LEU A 64 8.119 7.712 1.285 1.00 33.22 C ATOM 0 H LEU A 64 9.144 8.436 3.810 1.00 54.21 H new ATOM 0 HA LEU A 64 11.789 8.139 2.509 1.00 1.12 H new ATOM 0 HB2 LEU A 64 10.536 10.088 1.109 1.00 23.14 H new ATOM 0 HB3 LEU A 64 10.507 8.392 0.669 1.00 23.14 H new ATOM 0 HG LEU A 64 8.367 9.461 2.481 1.00 3.12 H new ATOM 0 HD11 LEU A 64 7.015 10.066 0.512 1.00 50.35 H new ATOM 0 HD12 LEU A 64 8.473 11.078 0.648 1.00 50.35 H new ATOM 0 HD13 LEU A 64 8.417 9.755 -0.540 1.00 50.35 H new ATOM 0 HD21 LEU A 64 7.030 7.739 1.330 1.00 33.22 H new ATOM 0 HD22 LEU A 64 8.433 7.338 0.310 1.00 33.22 H new ATOM 0 HD23 LEU A 64 8.498 7.052 2.065 1.00 33.22 H new ATOM 987 N GLY A 65 10.491 10.663 4.170 1.00 14.31 N ATOM 988 CA GLY A 65 10.838 11.886 4.873 1.00 24.24 C ATOM 989 C GLY A 65 11.184 13.019 3.928 1.00 54.53 C ATOM 990 O GLY A 65 11.728 14.043 4.346 1.00 64.23 O ATOM 0 H GLY A 65 9.527 10.354 4.296 1.00 14.31 H new ATOM 0 HA2 GLY A 65 10.003 12.187 5.506 1.00 24.24 H new ATOM 0 HA3 GLY A 65 11.685 11.695 5.532 1.00 24.24 H new ATOM 994 N THR A 66 10.869 12.839 2.649 1.00 3.22 N ATOM 995 CA THR A 66 11.153 13.854 1.642 1.00 72.04 C ATOM 996 C THR A 66 9.917 14.696 1.347 1.00 63.53 C ATOM 997 O THR A 66 9.983 15.672 0.600 1.00 22.53 O ATOM 998 CB THR A 66 11.653 13.220 0.331 1.00 50.30 C ATOM 999 OG1 THR A 66 12.054 14.244 -0.587 1.00 20.31 O ATOM 1000 CG2 THR A 66 10.570 12.360 -0.303 1.00 62.23 C ATOM 0 H THR A 66 10.417 12.000 2.286 1.00 3.22 H new ATOM 0 HA THR A 66 11.936 14.493 2.049 1.00 72.04 H new ATOM 0 HB THR A 66 12.508 12.586 0.564 1.00 50.30 H new ATOM 0 HG1 THR A 66 11.571 15.072 -0.385 1.00 20.31 H new ATOM 0 HG21 THR A 66 10.947 11.923 -1.228 1.00 62.23 H new ATOM 0 HG22 THR A 66 10.288 11.564 0.386 1.00 62.23 H new ATOM 0 HG23 THR A 66 9.698 12.976 -0.522 1.00 62.23 H new ATOM 1008 N GLN A 67 8.789 14.311 1.938 1.00 54.21 N ATOM 1009 CA GLN A 67 7.538 15.032 1.738 1.00 3.34 C ATOM 1010 C GLN A 67 7.276 15.266 0.253 1.00 25.45 C ATOM 1011 O GLN A 67 7.621 16.314 -0.291 1.00 32.05 O ATOM 1012 CB GLN A 67 7.571 16.370 2.478 1.00 64.31 C ATOM 1013 CG GLN A 67 6.206 16.830 2.965 1.00 1.13 C ATOM 1014 CD GLN A 67 6.272 17.531 4.307 1.00 32.23 C ATOM 1015 OE1 GLN A 67 7.123 17.222 5.141 1.00 20.33 O ATOM 1016 NE2 GLN A 67 5.371 18.482 4.523 1.00 55.13 N ATOM 0 H GLN A 67 8.717 13.505 2.558 1.00 54.21 H new ATOM 0 HA GLN A 67 6.729 14.422 2.140 1.00 3.34 H new ATOM 0 HB2 GLN A 67 8.243 16.287 3.332 1.00 64.31 H new ATOM 0 HB3 GLN A 67 7.987 17.131 1.818 1.00 64.31 H new ATOM 0 HG2 GLN A 67 5.770 17.504 2.228 1.00 1.13 H new ATOM 0 HG3 GLN A 67 5.542 15.969 3.041 1.00 1.13 H new ATOM 0 HE21 GLN A 67 4.683 18.706 3.804 1.00 55.13 H new ATOM 0 HE22 GLN A 67 5.366 18.989 5.408 1.00 55.13 H new ATOM 1023 N ARG A 68 6.664 14.280 -0.397 1.00 33.35 N ATOM 1024 CA ARG A 68 6.358 14.378 -1.818 1.00 41.04 C ATOM 1025 C ARG A 68 4.858 14.237 -2.063 1.00 74.20 C ATOM 1026 O ARG A 68 4.165 13.530 -1.330 1.00 43.50 O ATOM 1027 CB ARG A 68 7.115 13.303 -2.600 1.00 71.14 C ATOM 1028 CG ARG A 68 8.584 13.629 -2.817 1.00 61.34 C ATOM 1029 CD ARG A 68 8.762 14.767 -3.810 1.00 31.24 C ATOM 1030 NE ARG A 68 9.884 14.532 -4.715 1.00 45.45 N ATOM 1031 CZ ARG A 68 10.493 15.497 -5.395 1.00 42.24 C ATOM 1032 NH1 ARG A 68 10.092 16.755 -5.271 1.00 2.51 N ATOM 1033 NH2 ARG A 68 11.507 15.204 -6.200 1.00 75.32 N ATOM 0 H ARG A 68 6.371 13.405 0.039 1.00 33.35 H new ATOM 0 HA ARG A 68 6.675 15.362 -2.164 1.00 41.04 H new ATOM 0 HB2 ARG A 68 7.037 12.355 -2.067 1.00 71.14 H new ATOM 0 HB3 ARG A 68 6.635 13.165 -3.569 1.00 71.14 H new ATOM 0 HG2 ARG A 68 9.042 13.900 -1.866 1.00 61.34 H new ATOM 0 HG3 ARG A 68 9.105 12.743 -3.180 1.00 61.34 H new ATOM 0 HD2 ARG A 68 7.847 14.888 -4.390 1.00 31.24 H new ATOM 0 HD3 ARG A 68 8.922 15.699 -3.268 1.00 31.24 H new ATOM 0 HE ARG A 68 10.218 13.575 -4.831 1.00 45.45 H new ATOM 0 HH11 ARG A 68 9.314 16.984 -4.652 1.00 2.51 H new ATOM 0 HH12 ARG A 68 10.562 17.494 -5.794 1.00 2.51 H new ATOM 0 HH21 ARG A 68 11.819 14.238 -6.297 1.00 75.32 H new ATOM 0 HH22 ARG A 68 11.974 15.945 -6.722 1.00 75.32 H new ATOM 1044 N GLN A 69 4.365 14.915 -3.094 1.00 62.54 N ATOM 1045 CA GLN A 69 2.948 14.865 -3.433 1.00 71.52 C ATOM 1046 C GLN A 69 2.657 13.719 -4.396 1.00 52.34 C ATOM 1047 O GLN A 69 3.171 13.690 -5.515 1.00 55.12 O ATOM 1048 CB GLN A 69 2.502 16.193 -4.050 1.00 25.14 C ATOM 1049 CG GLN A 69 1.218 16.087 -4.856 1.00 71.04 C ATOM 1050 CD GLN A 69 0.466 17.402 -4.929 1.00 33.31 C ATOM 1051 OE1 GLN A 69 1.000 18.411 -5.389 1.00 40.32 O ATOM 1052 NE2 GLN A 69 -0.781 17.397 -4.473 1.00 74.34 N ATOM 0 H GLN A 69 4.926 15.505 -3.709 1.00 62.54 H new ATOM 0 HA GLN A 69 2.387 14.693 -2.514 1.00 71.52 H new ATOM 0 HB2 GLN A 69 2.363 16.925 -3.255 1.00 25.14 H new ATOM 0 HB3 GLN A 69 3.296 16.570 -4.695 1.00 25.14 H new ATOM 0 HG2 GLN A 69 1.454 15.751 -5.866 1.00 71.04 H new ATOM 0 HG3 GLN A 69 0.575 15.329 -4.410 1.00 71.04 H new ATOM 0 HE21 GLN A 69 -1.184 16.538 -4.100 1.00 74.34 H new ATOM 0 HE22 GLN A 69 -1.336 18.253 -4.496 1.00 74.34 H new ATOM 1059 N VAL A 70 1.831 12.777 -3.955 1.00 65.21 N ATOM 1060 CA VAL A 70 1.472 11.629 -4.779 1.00 43.12 C ATOM 1061 C VAL A 70 0.191 11.894 -5.563 1.00 42.10 C ATOM 1062 O VAL A 70 -0.688 12.627 -5.109 1.00 42.33 O ATOM 1063 CB VAL A 70 1.284 10.361 -3.925 1.00 71.31 C ATOM 1064 CG1 VAL A 70 2.543 10.064 -3.127 1.00 32.42 C ATOM 1065 CG2 VAL A 70 0.082 10.514 -3.003 1.00 43.20 C ATOM 0 H VAL A 70 1.397 12.786 -3.032 1.00 65.21 H new ATOM 0 HA VAL A 70 2.295 11.470 -5.475 1.00 43.12 H new ATOM 0 HB VAL A 70 1.098 9.519 -4.591 1.00 71.31 H new ATOM 0 HG11 VAL A 70 2.392 9.165 -2.530 1.00 32.42 H new ATOM 0 HG12 VAL A 70 3.379 9.910 -3.810 1.00 32.42 H new ATOM 0 HG13 VAL A 70 2.763 10.904 -2.468 1.00 32.42 H new ATOM 0 HG21 VAL A 70 -0.037 9.609 -2.407 1.00 43.20 H new ATOM 0 HG22 VAL A 70 0.237 11.367 -2.342 1.00 43.20 H new ATOM 0 HG23 VAL A 70 -0.816 10.676 -3.600 1.00 43.20 H new ATOM 1075 N THR A 71 0.091 11.292 -6.745 1.00 31.51 N ATOM 1076 CA THR A 71 -1.081 11.463 -7.593 1.00 10.52 C ATOM 1077 C THR A 71 -1.416 10.175 -8.335 1.00 22.43 C ATOM 1078 O THR A 71 -2.055 10.200 -9.385 1.00 4.21 O ATOM 1079 CB THR A 71 -0.872 12.593 -8.619 1.00 51.50 C ATOM 1080 OG1 THR A 71 0.418 13.187 -8.436 1.00 45.33 O ATOM 1081 CG2 THR A 71 -1.951 13.657 -8.480 1.00 11.23 C ATOM 0 H THR A 71 0.809 10.682 -7.136 1.00 31.51 H new ATOM 0 HA THR A 71 -1.910 11.727 -6.936 1.00 10.52 H new ATOM 0 HB THR A 71 -0.935 12.163 -9.619 1.00 51.50 H new ATOM 0 HG1 THR A 71 0.519 13.945 -9.049 1.00 45.33 H new ATOM 0 HG21 THR A 71 -1.782 14.444 -9.215 1.00 11.23 H new ATOM 0 HG22 THR A 71 -2.929 13.207 -8.648 1.00 11.23 H new ATOM 0 HG23 THR A 71 -1.915 14.083 -7.477 1.00 11.23 H new ATOM 1089 N GLY A 72 -0.980 9.047 -7.780 1.00 21.42 N ATOM 1090 CA GLY A 72 -1.245 7.763 -8.403 1.00 52.51 C ATOM 1091 C GLY A 72 -0.488 6.630 -7.739 1.00 13.41 C ATOM 1092 O GLY A 72 0.446 6.864 -6.972 1.00 32.23 O ATOM 0 H GLY A 72 -0.448 9.000 -6.911 1.00 21.42 H new ATOM 0 HA2 GLY A 72 -2.314 7.556 -8.360 1.00 52.51 H new ATOM 0 HA3 GLY A 72 -0.971 7.810 -9.457 1.00 52.51 H new ATOM 1096 N ILE A 73 -0.893 5.399 -8.033 1.00 30.33 N ATOM 1097 CA ILE A 73 -0.246 4.225 -7.458 1.00 72.33 C ATOM 1098 C ILE A 73 -0.189 3.082 -8.463 1.00 3.22 C ATOM 1099 O ILE A 73 -0.929 3.068 -9.447 1.00 42.01 O ATOM 1100 CB ILE A 73 -0.978 3.744 -6.191 1.00 24.31 C ATOM 1101 CG1 ILE A 73 -2.353 3.179 -6.553 1.00 44.42 C ATOM 1102 CG2 ILE A 73 -1.113 4.883 -5.192 1.00 63.34 C ATOM 1103 CD1 ILE A 73 -2.396 1.668 -6.587 1.00 43.31 C ATOM 0 H ILE A 73 -1.665 5.188 -8.665 1.00 30.33 H new ATOM 0 HA ILE A 73 0.768 4.522 -7.192 1.00 72.33 H new ATOM 0 HB ILE A 73 -0.390 2.950 -5.729 1.00 24.31 H new ATOM 0 HG12 ILE A 73 -3.086 3.539 -5.831 1.00 44.42 H new ATOM 0 HG13 ILE A 73 -2.650 3.565 -7.528 1.00 44.42 H new ATOM 0 HG21 ILE A 73 -1.632 4.527 -4.302 1.00 63.34 H new ATOM 0 HG22 ILE A 73 -0.122 5.243 -4.914 1.00 63.34 H new ATOM 0 HG23 ILE A 73 -1.681 5.697 -5.643 1.00 63.34 H new ATOM 0 HD11 ILE A 73 -3.401 1.338 -6.850 1.00 43.31 H new ATOM 0 HD12 ILE A 73 -1.687 1.300 -7.329 1.00 43.31 H new ATOM 0 HD13 ILE A 73 -2.130 1.274 -5.606 1.00 43.31 H new ATOM 1114 N ILE A 74 0.695 2.122 -8.210 1.00 23.12 N ATOM 1115 CA ILE A 74 0.848 0.972 -9.092 1.00 24.10 C ATOM 1116 C ILE A 74 1.270 -0.268 -8.311 1.00 62.43 C ATOM 1117 O ILE A 74 2.137 -0.202 -7.439 1.00 74.30 O ATOM 1118 CB ILE A 74 1.883 1.245 -10.199 1.00 63.32 C ATOM 1119 CG1 ILE A 74 2.172 -0.037 -10.985 1.00 30.43 C ATOM 1120 CG2 ILE A 74 3.164 1.805 -9.600 1.00 75.34 C ATOM 1121 CD1 ILE A 74 0.935 -0.674 -11.578 1.00 31.41 C ATOM 0 H ILE A 74 1.316 2.118 -7.401 1.00 23.12 H new ATOM 0 HA ILE A 74 -0.125 0.795 -9.551 1.00 24.10 H new ATOM 0 HB ILE A 74 1.472 1.985 -10.886 1.00 63.32 H new ATOM 0 HG12 ILE A 74 2.875 0.189 -11.787 1.00 30.43 H new ATOM 0 HG13 ILE A 74 2.660 -0.755 -10.326 1.00 30.43 H new ATOM 0 HG21 ILE A 74 3.886 1.993 -10.395 1.00 75.34 H new ATOM 0 HG22 ILE A 74 2.945 2.738 -9.081 1.00 75.34 H new ATOM 0 HG23 ILE A 74 3.580 1.086 -8.894 1.00 75.34 H new ATOM 0 HD11 ILE A 74 1.215 -1.577 -12.120 1.00 31.41 H new ATOM 0 HD12 ILE A 74 0.240 -0.932 -10.779 1.00 31.41 H new ATOM 0 HD13 ILE A 74 0.457 0.027 -12.263 1.00 31.41 H new ATOM 1132 N THR A 75 0.652 -1.401 -8.630 1.00 45.31 N ATOM 1133 CA THR A 75 0.963 -2.657 -7.960 1.00 2.15 C ATOM 1134 C THR A 75 1.239 -3.766 -8.969 1.00 43.53 C ATOM 1135 O THR A 75 0.591 -3.841 -10.013 1.00 22.31 O ATOM 1136 CB THR A 75 -0.183 -3.097 -7.031 1.00 22.24 C ATOM 1137 OG1 THR A 75 0.221 -4.234 -6.258 1.00 54.22 O ATOM 1138 CG2 THR A 75 -1.428 -3.441 -7.834 1.00 73.04 C ATOM 0 H THR A 75 -0.068 -1.474 -9.349 1.00 45.31 H new ATOM 0 HA THR A 75 1.858 -2.483 -7.363 1.00 2.15 H new ATOM 0 HB THR A 75 -0.418 -2.269 -6.363 1.00 22.24 H new ATOM 0 HG1 THR A 75 -0.513 -4.506 -5.669 1.00 54.22 H new ATOM 0 HG21 THR A 75 -2.224 -3.749 -7.156 1.00 73.04 H new ATOM 0 HG22 THR A 75 -1.750 -2.566 -8.399 1.00 73.04 H new ATOM 0 HG23 THR A 75 -1.203 -4.255 -8.523 1.00 73.04 H new ATOM 1146 N GLN A 76 2.203 -4.623 -8.652 1.00 32.55 N ATOM 1147 CA GLN A 76 2.563 -5.729 -9.532 1.00 73.13 C ATOM 1148 C GLN A 76 2.930 -6.970 -8.725 1.00 33.11 C ATOM 1149 O GLN A 76 3.593 -6.879 -7.694 1.00 34.14 O ATOM 1150 CB GLN A 76 3.731 -5.330 -10.435 1.00 54.12 C ATOM 1151 CG GLN A 76 3.377 -5.308 -11.913 1.00 33.14 C ATOM 1152 CD GLN A 76 4.585 -5.524 -12.805 1.00 54.15 C ATOM 1153 OE1 GLN A 76 5.446 -4.652 -12.924 1.00 11.22 O ATOM 1154 NE2 GLN A 76 4.653 -6.688 -13.438 1.00 64.20 N ATOM 0 H GLN A 76 2.749 -4.573 -7.792 1.00 32.55 H new ATOM 0 HA GLN A 76 1.697 -5.964 -10.151 1.00 73.13 H new ATOM 0 HB2 GLN A 76 4.086 -4.343 -10.140 1.00 54.12 H new ATOM 0 HB3 GLN A 76 4.555 -6.026 -10.278 1.00 54.12 H new ATOM 0 HG2 GLN A 76 2.636 -6.081 -12.117 1.00 33.14 H new ATOM 0 HG3 GLN A 76 2.915 -4.352 -12.158 1.00 33.14 H new ATOM 0 HE21 GLN A 76 3.917 -7.382 -13.310 1.00 64.20 H new ATOM 0 HE22 GLN A 76 5.442 -6.889 -14.053 1.00 64.20 H new ATOM 1161 N GLY A 77 2.492 -8.132 -9.203 1.00 53.21 N ATOM 1162 CA GLY A 77 2.784 -9.375 -8.513 1.00 51.42 C ATOM 1163 C GLY A 77 3.973 -10.101 -9.109 1.00 24.44 C ATOM 1164 O GLY A 77 4.517 -9.684 -10.131 1.00 32.24 O ATOM 0 H GLY A 77 1.941 -8.234 -10.055 1.00 53.21 H new ATOM 0 HA2 GLY A 77 2.979 -9.166 -7.461 1.00 51.42 H new ATOM 0 HA3 GLY A 77 1.909 -10.023 -8.552 1.00 51.42 H new ATOM 1168 N ALA A 78 4.378 -11.193 -8.467 1.00 33.05 N ATOM 1169 CA ALA A 78 5.511 -11.980 -8.939 1.00 31.53 C ATOM 1170 C ALA A 78 5.104 -13.426 -9.200 1.00 65.44 C ATOM 1171 O ALA A 78 3.962 -13.814 -8.950 1.00 12.31 O ATOM 1172 CB ALA A 78 6.650 -11.924 -7.931 1.00 13.13 C ATOM 0 H ALA A 78 3.938 -11.552 -7.619 1.00 33.05 H new ATOM 0 HA ALA A 78 5.853 -11.550 -9.881 1.00 31.53 H new ATOM 0 HB1 ALA A 78 7.489 -12.516 -8.297 1.00 13.13 H new ATOM 0 HB2 ALA A 78 6.967 -10.890 -7.797 1.00 13.13 H new ATOM 0 HB3 ALA A 78 6.311 -12.326 -6.976 1.00 13.13 H new ATOM 1178 N ARG A 79 6.044 -14.219 -9.703 1.00 4.43 N ATOM 1179 CA ARG A 79 5.781 -15.623 -9.999 1.00 11.42 C ATOM 1180 C ARG A 79 6.940 -16.501 -9.540 1.00 33.35 C ATOM 1181 O ARG A 79 8.074 -16.036 -9.412 1.00 41.32 O ATOM 1182 CB ARG A 79 5.546 -15.814 -11.499 1.00 1.31 C ATOM 1183 CG ARG A 79 6.720 -15.376 -12.360 1.00 54.24 C ATOM 1184 CD ARG A 79 7.364 -16.557 -13.067 1.00 44.23 C ATOM 1185 NE ARG A 79 8.775 -16.320 -13.357 1.00 55.31 N ATOM 1186 CZ ARG A 79 9.459 -16.986 -14.281 1.00 62.54 C ATOM 1187 NH1 ARG A 79 8.863 -17.927 -15.000 1.00 0.22 N ATOM 1188 NH2 ARG A 79 10.741 -16.711 -14.486 1.00 71.22 N ATOM 0 H ARG A 79 6.994 -13.914 -9.914 1.00 4.43 H new ATOM 0 HA ARG A 79 4.884 -15.921 -9.456 1.00 11.42 H new ATOM 0 HB2 ARG A 79 5.336 -16.866 -11.694 1.00 1.31 H new ATOM 0 HB3 ARG A 79 4.660 -15.251 -11.794 1.00 1.31 H new ATOM 0 HG2 ARG A 79 6.380 -14.650 -13.098 1.00 54.24 H new ATOM 0 HG3 ARG A 79 7.462 -14.875 -11.738 1.00 54.24 H new ATOM 0 HD2 ARG A 79 7.266 -17.448 -12.446 1.00 44.23 H new ATOM 0 HD3 ARG A 79 6.832 -16.757 -13.997 1.00 44.23 H new ATOM 0 HE ARG A 79 9.263 -15.603 -12.820 1.00 55.31 H new ATOM 0 HH11 ARG A 79 7.878 -18.141 -14.844 1.00 0.22 H new ATOM 0 HH12 ARG A 79 9.390 -18.437 -15.709 1.00 0.22 H new ATOM 0 HH21 ARG A 79 11.202 -15.988 -13.934 1.00 71.22 H new ATOM 0 HH22 ARG A 79 11.265 -17.223 -15.196 1.00 71.22 H new ATOM 1199 N ASP A 80 6.650 -17.773 -9.290 1.00 62.02 N ATOM 1200 CA ASP A 80 7.667 -18.718 -8.844 1.00 32.12 C ATOM 1201 C ASP A 80 7.958 -19.753 -9.926 1.00 30.22 C ATOM 1202 O ASP A 80 7.791 -20.955 -9.710 1.00 12.21 O ATOM 1203 CB ASP A 80 7.218 -19.415 -7.560 1.00 22.31 C ATOM 1204 CG ASP A 80 8.337 -20.202 -6.906 1.00 31.11 C ATOM 1205 OD1 ASP A 80 9.143 -19.591 -6.173 1.00 1.44 O ATOM 1206 OD2 ASP A 80 8.407 -21.429 -7.127 1.00 24.03 O ATOM 0 H ASP A 80 5.717 -18.174 -9.389 1.00 62.02 H new ATOM 0 HA ASP A 80 8.583 -18.162 -8.644 1.00 32.12 H new ATOM 0 HB2 ASP A 80 6.843 -18.670 -6.858 1.00 22.31 H new ATOM 0 HB3 ASP A 80 6.389 -20.086 -7.785 1.00 22.31 H new ATOM 1210 N PHE A 81 8.393 -19.281 -11.089 1.00 42.22 N ATOM 1211 CA PHE A 81 8.705 -20.166 -12.206 1.00 71.31 C ATOM 1212 C PHE A 81 7.546 -21.119 -12.484 1.00 61.44 C ATOM 1213 O PHE A 81 7.499 -22.228 -11.954 1.00 5.21 O ATOM 1214 CB PHE A 81 9.976 -20.964 -11.911 1.00 2.12 C ATOM 1215 CG PHE A 81 11.193 -20.104 -11.721 1.00 74.31 C ATOM 1216 CD1 PHE A 81 11.448 -19.501 -10.500 1.00 20.41 C ATOM 1217 CD2 PHE A 81 12.082 -19.898 -12.764 1.00 71.53 C ATOM 1218 CE1 PHE A 81 12.566 -18.708 -10.321 1.00 24.44 C ATOM 1219 CE2 PHE A 81 13.202 -19.108 -12.590 1.00 51.54 C ATOM 1220 CZ PHE A 81 13.444 -18.511 -11.369 1.00 32.42 C ATOM 0 H PHE A 81 8.538 -18.290 -11.283 1.00 42.22 H new ATOM 0 HA PHE A 81 8.867 -19.551 -13.091 1.00 71.31 H new ATOM 0 HB2 PHE A 81 9.820 -21.562 -11.013 1.00 2.12 H new ATOM 0 HB3 PHE A 81 10.157 -21.660 -12.730 1.00 2.12 H new ATOM 0 HD1 PHE A 81 10.765 -19.652 -9.678 1.00 20.41 H new ATOM 0 HD2 PHE A 81 11.897 -20.360 -13.723 1.00 71.53 H new ATOM 0 HE1 PHE A 81 12.753 -18.244 -9.364 1.00 24.44 H new ATOM 0 HE2 PHE A 81 13.889 -18.957 -13.410 1.00 51.54 H new ATOM 0 HZ PHE A 81 14.318 -17.891 -11.233 1.00 32.42 H new ATOM 1229 N GLY A 82 6.611 -20.677 -13.319 1.00 40.21 N ATOM 1230 CA GLY A 82 5.464 -21.501 -13.654 1.00 1.02 C ATOM 1231 C GLY A 82 4.213 -21.085 -12.907 1.00 31.51 C ATOM 1232 O GLY A 82 3.163 -20.867 -13.512 1.00 53.32 O ATOM 0 H GLY A 82 6.627 -19.762 -13.770 1.00 40.21 H new ATOM 0 HA2 GLY A 82 5.279 -21.442 -14.727 1.00 1.02 H new ATOM 0 HA3 GLY A 82 5.690 -22.543 -13.426 1.00 1.02 H new ATOM 1236 N HIS A 83 4.322 -20.976 -11.587 1.00 13.15 N ATOM 1237 CA HIS A 83 3.190 -20.584 -10.755 1.00 12.03 C ATOM 1238 C HIS A 83 3.173 -19.074 -10.537 1.00 72.44 C ATOM 1239 O HIS A 83 4.215 -18.458 -10.309 1.00 60.53 O ATOM 1240 CB HIS A 83 3.246 -21.305 -9.408 1.00 13.40 C ATOM 1241 CG HIS A 83 2.553 -22.633 -9.410 1.00 2.42 C ATOM 1242 ND1 HIS A 83 3.015 -23.720 -10.122 1.00 63.45 N ATOM 1243 CD2 HIS A 83 1.429 -23.046 -8.781 1.00 62.41 C ATOM 1244 CE1 HIS A 83 2.201 -24.745 -9.931 1.00 14.41 C ATOM 1245 NE2 HIS A 83 1.232 -24.361 -9.120 1.00 24.13 N ATOM 0 H HIS A 83 5.183 -21.154 -11.070 1.00 13.15 H new ATOM 0 HA HIS A 83 2.274 -20.869 -11.273 1.00 12.03 H new ATOM 0 HB2 HIS A 83 4.289 -21.449 -9.125 1.00 13.40 H new ATOM 0 HB3 HIS A 83 2.794 -20.670 -8.646 1.00 13.40 H new ATOM 0 HD2 HIS A 83 0.803 -22.451 -8.132 1.00 62.41 H new ATOM 0 HE1 HIS A 83 2.310 -25.728 -10.364 1.00 14.41 H new ATOM 0 HE2 HIS A 83 0.462 -24.947 -8.798 1.00 24.13 H new ATOM 1252 N ILE A 84 1.984 -18.484 -10.609 1.00 2.23 N ATOM 1253 CA ILE A 84 1.833 -17.047 -10.419 1.00 0.22 C ATOM 1254 C ILE A 84 1.342 -16.727 -9.012 1.00 72.34 C ATOM 1255 O ILE A 84 0.311 -17.236 -8.574 1.00 61.51 O ATOM 1256 CB ILE A 84 0.852 -16.445 -11.442 1.00 52.02 C ATOM 1257 CG1 ILE A 84 1.193 -16.926 -12.854 1.00 33.04 C ATOM 1258 CG2 ILE A 84 0.881 -14.925 -11.373 1.00 3.53 C ATOM 1259 CD1 ILE A 84 0.247 -16.406 -13.914 1.00 5.33 C ATOM 0 H ILE A 84 1.112 -18.979 -10.797 1.00 2.23 H new ATOM 0 HA ILE A 84 2.818 -16.604 -10.567 1.00 0.22 H new ATOM 0 HB ILE A 84 -0.156 -16.781 -11.198 1.00 52.02 H new ATOM 0 HG12 ILE A 84 2.208 -16.615 -13.100 1.00 33.04 H new ATOM 0 HG13 ILE A 84 1.181 -18.016 -12.871 1.00 33.04 H new ATOM 0 HG21 ILE A 84 0.182 -14.514 -12.102 1.00 3.53 H new ATOM 0 HG22 ILE A 84 0.594 -14.601 -10.373 1.00 3.53 H new ATOM 0 HG23 ILE A 84 1.887 -14.570 -11.595 1.00 3.53 H new ATOM 0 HD11 ILE A 84 0.549 -16.787 -14.890 1.00 5.33 H new ATOM 0 HD12 ILE A 84 -0.767 -16.739 -13.692 1.00 5.33 H new ATOM 0 HD13 ILE A 84 0.276 -15.316 -13.925 1.00 5.33 H new ATOM 1270 N GLN A 85 2.086 -15.879 -8.310 1.00 33.35 N ATOM 1271 CA GLN A 85 1.726 -15.490 -6.951 1.00 61.21 C ATOM 1272 C GLN A 85 1.356 -14.012 -6.888 1.00 53.11 C ATOM 1273 O GLN A 85 1.855 -13.203 -7.671 1.00 52.34 O ATOM 1274 CB GLN A 85 2.881 -15.780 -5.992 1.00 72.40 C ATOM 1275 CG GLN A 85 3.221 -17.258 -5.878 1.00 33.30 C ATOM 1276 CD GLN A 85 4.294 -17.687 -6.859 1.00 64.12 C ATOM 1277 OE1 GLN A 85 5.302 -17.002 -7.032 1.00 11.32 O ATOM 1278 NE2 GLN A 85 4.082 -18.826 -7.508 1.00 10.13 N ATOM 0 H GLN A 85 2.942 -15.448 -8.659 1.00 33.35 H new ATOM 0 HA GLN A 85 0.858 -16.076 -6.650 1.00 61.21 H new ATOM 0 HB2 GLN A 85 3.765 -15.237 -6.326 1.00 72.40 H new ATOM 0 HB3 GLN A 85 2.627 -15.397 -5.004 1.00 72.40 H new ATOM 0 HG2 GLN A 85 3.555 -17.473 -4.863 1.00 33.30 H new ATOM 0 HG3 GLN A 85 2.321 -17.848 -6.049 1.00 33.30 H new ATOM 0 HE21 GLN A 85 3.232 -19.362 -7.333 1.00 10.13 H new ATOM 0 HE22 GLN A 85 4.769 -19.165 -8.181 1.00 10.13 H new ATOM 1285 N TYR A 86 0.479 -13.667 -5.952 1.00 51.41 N ATOM 1286 CA TYR A 86 0.039 -12.286 -5.790 1.00 32.33 C ATOM 1287 C TYR A 86 -1.025 -12.178 -4.701 1.00 13.22 C ATOM 1288 O TYR A 86 -1.786 -13.115 -4.467 1.00 64.44 O ATOM 1289 CB TYR A 86 -0.508 -11.743 -7.110 1.00 42.03 C ATOM 1290 CG TYR A 86 -1.430 -12.706 -7.825 1.00 2.22 C ATOM 1291 CD1 TYR A 86 -2.674 -13.028 -7.298 1.00 64.05 C ATOM 1292 CD2 TYR A 86 -1.054 -13.295 -9.026 1.00 40.33 C ATOM 1293 CE1 TYR A 86 -3.519 -13.908 -7.947 1.00 54.25 C ATOM 1294 CE2 TYR A 86 -1.893 -14.175 -9.682 1.00 44.53 C ATOM 1295 CZ TYR A 86 -3.124 -14.478 -9.139 1.00 4.35 C ATOM 1296 OH TYR A 86 -3.961 -15.355 -9.789 1.00 60.32 O ATOM 0 H TYR A 86 0.059 -14.324 -5.294 1.00 51.41 H new ATOM 0 HA TYR A 86 0.901 -11.690 -5.491 1.00 32.33 H new ATOM 0 HB2 TYR A 86 -1.045 -10.814 -6.917 1.00 42.03 H new ATOM 0 HB3 TYR A 86 0.327 -11.497 -7.766 1.00 42.03 H new ATOM 0 HD1 TYR A 86 -2.986 -12.583 -6.365 1.00 64.05 H new ATOM 0 HD2 TYR A 86 -0.090 -13.061 -9.454 1.00 40.33 H new ATOM 0 HE1 TYR A 86 -4.483 -14.148 -7.523 1.00 54.25 H new ATOM 0 HE2 TYR A 86 -1.586 -14.623 -10.615 1.00 44.53 H new ATOM 0 HH TYR A 86 -3.533 -15.665 -10.614 1.00 60.32 H new ATOM 1305 N VAL A 87 -1.071 -11.026 -4.040 1.00 15.22 N ATOM 1306 CA VAL A 87 -2.041 -10.792 -2.978 1.00 62.24 C ATOM 1307 C VAL A 87 -3.284 -10.088 -3.513 1.00 3.43 C ATOM 1308 O VAL A 87 -3.285 -9.578 -4.634 1.00 33.52 O ATOM 1309 CB VAL A 87 -1.436 -9.947 -1.841 1.00 71.44 C ATOM 1310 CG1 VAL A 87 0.074 -10.115 -1.795 1.00 4.10 C ATOM 1311 CG2 VAL A 87 -1.814 -8.484 -2.006 1.00 55.44 C ATOM 0 H VAL A 87 -0.447 -10.240 -4.222 1.00 15.22 H new ATOM 0 HA VAL A 87 -2.321 -11.769 -2.585 1.00 62.24 H new ATOM 0 HB VAL A 87 -1.844 -10.299 -0.894 1.00 71.44 H new ATOM 0 HG11 VAL A 87 0.483 -9.510 -0.985 1.00 4.10 H new ATOM 0 HG12 VAL A 87 0.318 -11.163 -1.624 1.00 4.10 H new ATOM 0 HG13 VAL A 87 0.505 -9.792 -2.743 1.00 4.10 H new ATOM 0 HG21 VAL A 87 -1.378 -7.902 -1.194 1.00 55.44 H new ATOM 0 HG22 VAL A 87 -1.436 -8.116 -2.960 1.00 55.44 H new ATOM 0 HG23 VAL A 87 -2.899 -8.384 -1.982 1.00 55.44 H new ATOM 1321 N ALA A 88 -4.338 -10.064 -2.705 1.00 44.12 N ATOM 1322 CA ALA A 88 -5.586 -9.420 -3.096 1.00 4.42 C ATOM 1323 C ALA A 88 -5.913 -8.251 -2.174 1.00 51.43 C ATOM 1324 O ALA A 88 -5.701 -7.091 -2.528 1.00 41.23 O ATOM 1325 CB ALA A 88 -6.724 -10.431 -3.096 1.00 34.20 C ATOM 0 H ALA A 88 -4.353 -10.483 -1.775 1.00 44.12 H new ATOM 0 HA ALA A 88 -5.463 -9.028 -4.106 1.00 4.42 H new ATOM 0 HB1 ALA A 88 -7.650 -9.937 -3.390 1.00 34.20 H new ATOM 0 HB2 ALA A 88 -6.500 -11.231 -3.802 1.00 34.20 H new ATOM 0 HB3 ALA A 88 -6.838 -10.850 -2.096 1.00 34.20 H new ATOM 1331 N SER A 89 -6.432 -8.563 -0.991 1.00 42.12 N ATOM 1332 CA SER A 89 -6.793 -7.537 -0.020 1.00 22.20 C ATOM 1333 C SER A 89 -5.549 -6.963 0.652 1.00 4.44 C ATOM 1334 O SER A 89 -4.864 -7.653 1.408 1.00 51.11 O ATOM 1335 CB SER A 89 -7.737 -8.115 1.037 1.00 3.11 C ATOM 1336 OG SER A 89 -8.654 -9.026 0.457 1.00 31.22 O ATOM 0 H SER A 89 -6.612 -9.518 -0.682 1.00 42.12 H new ATOM 0 HA SER A 89 -7.302 -6.732 -0.551 1.00 22.20 H new ATOM 0 HB2 SER A 89 -7.157 -8.620 1.810 1.00 3.11 H new ATOM 0 HB3 SER A 89 -8.282 -7.306 1.524 1.00 3.11 H new ATOM 0 HG SER A 89 -9.538 -8.904 0.863 1.00 31.22 H new ATOM 1341 N TYR A 90 -5.263 -5.697 0.370 1.00 43.40 N ATOM 1342 CA TYR A 90 -4.101 -5.030 0.944 1.00 62.02 C ATOM 1343 C TYR A 90 -4.473 -3.649 1.475 1.00 15.34 C ATOM 1344 O TYR A 90 -4.886 -2.770 0.719 1.00 32.44 O ATOM 1345 CB TYR A 90 -2.991 -4.905 -0.100 1.00 44.41 C ATOM 1346 CG TYR A 90 -1.601 -5.088 0.467 1.00 50.01 C ATOM 1347 CD1 TYR A 90 -1.308 -4.712 1.772 1.00 71.11 C ATOM 1348 CD2 TYR A 90 -0.582 -5.637 -0.301 1.00 64.52 C ATOM 1349 CE1 TYR A 90 -0.039 -4.876 2.295 1.00 64.12 C ATOM 1350 CE2 TYR A 90 0.688 -5.807 0.214 1.00 3.22 C ATOM 1351 CZ TYR A 90 0.955 -5.424 1.512 1.00 3.41 C ATOM 1352 OH TYR A 90 2.219 -5.591 2.029 1.00 4.13 O ATOM 0 H TYR A 90 -5.820 -5.112 -0.253 1.00 43.40 H new ATOM 0 HA TYR A 90 -3.741 -5.635 1.776 1.00 62.02 H new ATOM 0 HB2 TYR A 90 -3.155 -5.646 -0.883 1.00 44.41 H new ATOM 0 HB3 TYR A 90 -3.056 -3.924 -0.571 1.00 44.41 H new ATOM 0 HD1 TYR A 90 -2.085 -4.284 2.388 1.00 71.11 H new ATOM 0 HD2 TYR A 90 -0.786 -5.936 -1.318 1.00 64.52 H new ATOM 0 HE1 TYR A 90 0.173 -4.577 3.311 1.00 64.12 H new ATOM 0 HE2 TYR A 90 1.468 -6.238 -0.396 1.00 3.22 H new ATOM 0 HH TYR A 90 2.800 -5.991 1.349 1.00 4.13 H new ATOM 1361 N LYS A 91 -4.322 -3.465 2.783 1.00 63.51 N ATOM 1362 CA LYS A 91 -4.639 -2.192 3.418 1.00 64.32 C ATOM 1363 C LYS A 91 -3.505 -1.190 3.225 1.00 45.13 C ATOM 1364 O LYS A 91 -2.555 -1.153 4.006 1.00 23.34 O ATOM 1365 CB LYS A 91 -4.904 -2.396 4.912 1.00 54.32 C ATOM 1366 CG LYS A 91 -6.315 -2.026 5.335 1.00 61.13 C ATOM 1367 CD LYS A 91 -6.325 -0.798 6.230 1.00 33.04 C ATOM 1368 CE LYS A 91 -7.684 -0.594 6.882 1.00 33.22 C ATOM 1369 NZ LYS A 91 -7.634 0.433 7.959 1.00 15.33 N ATOM 0 H LYS A 91 -3.982 -4.182 3.423 1.00 63.51 H new ATOM 0 HA LYS A 91 -5.537 -1.793 2.946 1.00 64.32 H new ATOM 0 HB2 LYS A 91 -4.719 -3.440 5.166 1.00 54.32 H new ATOM 0 HB3 LYS A 91 -4.194 -1.798 5.483 1.00 54.32 H new ATOM 0 HG2 LYS A 91 -6.923 -1.838 4.450 1.00 61.13 H new ATOM 0 HG3 LYS A 91 -6.770 -2.865 5.862 1.00 61.13 H new ATOM 0 HD2 LYS A 91 -5.562 -0.903 7.002 1.00 33.04 H new ATOM 0 HD3 LYS A 91 -6.066 0.083 5.643 1.00 33.04 H new ATOM 0 HE2 LYS A 91 -8.408 -0.292 6.125 1.00 33.22 H new ATOM 0 HE3 LYS A 91 -8.033 -1.539 7.298 1.00 33.22 H new ATOM 0 HZ1 LYS A 91 -7.999 0.026 8.844 1.00 15.33 H new ATOM 0 HZ2 LYS A 91 -6.651 0.741 8.100 1.00 15.33 H new ATOM 0 HZ3 LYS A 91 -8.217 1.250 7.687 1.00 15.33 H new ATOM 1379 N VAL A 92 -3.613 -0.377 2.179 1.00 12.31 N ATOM 1380 CA VAL A 92 -2.598 0.628 1.885 1.00 10.12 C ATOM 1381 C VAL A 92 -3.013 1.998 2.409 1.00 12.43 C ATOM 1382 O VAL A 92 -4.008 2.568 1.966 1.00 40.13 O ATOM 1383 CB VAL A 92 -2.331 0.730 0.371 1.00 31.23 C ATOM 1384 CG1 VAL A 92 -3.630 0.957 -0.387 1.00 61.53 C ATOM 1385 CG2 VAL A 92 -1.333 1.840 0.079 1.00 53.11 C ATOM 0 H VAL A 92 -4.393 -0.394 1.521 1.00 12.31 H new ATOM 0 HA VAL A 92 -1.684 0.311 2.388 1.00 10.12 H new ATOM 0 HB VAL A 92 -1.901 -0.212 0.032 1.00 31.23 H new ATOM 0 HG11 VAL A 92 -3.421 1.026 -1.455 1.00 61.53 H new ATOM 0 HG12 VAL A 92 -4.309 0.124 -0.204 1.00 61.53 H new ATOM 0 HG13 VAL A 92 -4.093 1.884 -0.047 1.00 61.53 H new ATOM 0 HG21 VAL A 92 -1.157 1.897 -0.995 1.00 53.11 H new ATOM 0 HG22 VAL A 92 -1.732 2.791 0.432 1.00 53.11 H new ATOM 0 HG23 VAL A 92 -0.394 1.629 0.590 1.00 53.11 H new ATOM 1395 N ALA A 93 -2.240 2.521 3.356 1.00 41.01 N ATOM 1396 CA ALA A 93 -2.525 3.826 3.940 1.00 14.22 C ATOM 1397 C ALA A 93 -1.325 4.758 3.814 1.00 34.13 C ATOM 1398 O ALA A 93 -0.177 4.310 3.802 1.00 52.23 O ATOM 1399 CB ALA A 93 -2.928 3.675 5.399 1.00 63.13 C ATOM 0 H ALA A 93 -1.412 2.061 3.735 1.00 41.01 H new ATOM 0 HA ALA A 93 -3.355 4.269 3.390 1.00 14.22 H new ATOM 0 HB1 ALA A 93 -3.138 4.657 5.822 1.00 63.13 H new ATOM 0 HB2 ALA A 93 -3.820 3.052 5.468 1.00 63.13 H new ATOM 0 HB3 ALA A 93 -2.115 3.207 5.954 1.00 63.13 H new ATOM 1405 N HIS A 94 -1.596 6.056 3.721 1.00 35.24 N ATOM 1406 CA HIS A 94 -0.536 7.051 3.597 1.00 4.31 C ATOM 1407 C HIS A 94 -0.568 8.028 4.768 1.00 71.53 C ATOM 1408 O HIS A 94 -1.640 8.422 5.231 1.00 14.35 O ATOM 1409 CB HIS A 94 -0.676 7.813 2.278 1.00 21.25 C ATOM 1410 CG HIS A 94 -0.456 6.958 1.068 1.00 42.23 C ATOM 1411 ND1 HIS A 94 -0.943 5.737 0.745 1.00 14.42 N flip ATOM 1412 CD2 HIS A 94 0.352 7.336 0.016 1.00 35.10 C flip ATOM 1413 CE1 HIS A 94 -0.427 5.404 -0.483 1.00 54.13 C flip ATOM 1414 NE2 HIS A 94 0.351 6.386 -0.901 1.00 12.23 N flip ATOM 0 H HIS A 94 -2.540 6.443 3.729 1.00 35.24 H new ATOM 0 HA HIS A 94 0.421 6.530 3.608 1.00 4.31 H new ATOM 0 HB2 HIS A 94 -1.672 8.253 2.226 1.00 21.25 H new ATOM 0 HB3 HIS A 94 0.038 8.637 2.266 1.00 21.25 H new ATOM 0 HD2 HIS A 94 0.900 8.264 -0.048 1.00 35.10 H new ATOM 0 HE1 HIS A 94 -0.625 4.488 -1.020 1.00 54.13 H new ATOM 0 HE2 HIS A 94 0.864 6.407 -1.782 1.00 12.23 H new ATOM 1421 N SER A 95 0.611 8.415 5.243 1.00 23.34 N ATOM 1422 CA SER A 95 0.718 9.342 6.364 1.00 44.31 C ATOM 1423 C SER A 95 1.624 10.517 6.011 1.00 73.34 C ATOM 1424 O SER A 95 2.681 10.341 5.404 1.00 72.51 O ATOM 1425 CB SER A 95 1.257 8.621 7.600 1.00 64.44 C ATOM 1426 OG SER A 95 1.256 7.217 7.412 1.00 20.32 O ATOM 0 H SER A 95 1.506 8.101 4.869 1.00 23.34 H new ATOM 0 HA SER A 95 -0.278 9.726 6.583 1.00 44.31 H new ATOM 0 HB2 SER A 95 2.271 8.962 7.811 1.00 64.44 H new ATOM 0 HB3 SER A 95 0.648 8.875 8.468 1.00 64.44 H new ATOM 0 HG SER A 95 2.056 6.953 6.911 1.00 20.32 H new ATOM 1431 N ASP A 96 1.202 11.717 6.396 1.00 11.55 N ATOM 1432 CA ASP A 96 1.976 12.923 6.122 1.00 70.23 C ATOM 1433 C ASP A 96 2.776 13.346 7.351 1.00 42.43 C ATOM 1434 O ASP A 96 3.916 13.795 7.236 1.00 3.15 O ATOM 1435 CB ASP A 96 1.050 14.059 5.685 1.00 14.40 C ATOM 1436 CG ASP A 96 1.800 15.352 5.429 1.00 30.21 C ATOM 1437 OD1 ASP A 96 2.914 15.289 4.868 1.00 61.02 O ATOM 1438 OD2 ASP A 96 1.275 16.426 5.790 1.00 63.02 O ATOM 0 H ASP A 96 0.329 11.881 6.898 1.00 11.55 H new ATOM 0 HA ASP A 96 2.674 12.702 5.315 1.00 70.23 H new ATOM 0 HB2 ASP A 96 0.521 13.764 4.779 1.00 14.40 H new ATOM 0 HB3 ASP A 96 0.296 14.226 6.455 1.00 14.40 H new ATOM 1442 N ASP A 97 2.170 13.201 8.524 1.00 52.14 N ATOM 1443 CA ASP A 97 2.826 13.568 9.773 1.00 74.44 C ATOM 1444 C ASP A 97 3.487 12.354 10.417 1.00 30.41 C ATOM 1445 O ASP A 97 4.287 12.487 11.341 1.00 53.21 O ATOM 1446 CB ASP A 97 1.816 14.188 10.741 1.00 65.15 C ATOM 1447 CG ASP A 97 2.357 15.426 11.428 1.00 74.21 C ATOM 1448 OD1 ASP A 97 3.592 15.529 11.578 1.00 33.10 O ATOM 1449 OD2 ASP A 97 1.545 16.292 11.818 1.00 42.32 O ATOM 0 H ASP A 97 1.226 12.832 8.636 1.00 52.14 H new ATOM 0 HA ASP A 97 3.599 14.302 9.547 1.00 74.44 H new ATOM 0 HB2 ASP A 97 0.907 14.446 10.197 1.00 65.15 H new ATOM 0 HB3 ASP A 97 1.539 13.450 11.494 1.00 65.15 H new ATOM 1453 N GLY A 98 3.144 11.168 9.923 1.00 4.55 N ATOM 1454 CA GLY A 98 3.713 9.947 10.461 1.00 70.51 C ATOM 1455 C GLY A 98 2.787 9.261 11.446 1.00 60.23 C ATOM 1456 O GLY A 98 2.837 8.043 11.611 1.00 20.31 O ATOM 0 H GLY A 98 2.482 11.032 9.159 1.00 4.55 H new ATOM 0 HA2 GLY A 98 3.939 9.263 9.642 1.00 70.51 H new ATOM 0 HA3 GLY A 98 4.658 10.176 10.954 1.00 70.51 H new ATOM 1460 N VAL A 99 1.938 10.045 12.103 1.00 51.54 N ATOM 1461 CA VAL A 99 0.995 9.507 13.076 1.00 21.03 C ATOM 1462 C VAL A 99 -0.397 9.361 12.472 1.00 15.43 C ATOM 1463 O VAL A 99 -1.188 8.527 12.910 1.00 41.24 O ATOM 1464 CB VAL A 99 0.909 10.402 14.327 1.00 64.41 C ATOM 1465 CG1 VAL A 99 2.284 10.583 14.951 1.00 70.25 C ATOM 1466 CG2 VAL A 99 0.291 11.747 13.977 1.00 71.40 C ATOM 0 H VAL A 99 1.884 11.056 11.979 1.00 51.54 H new ATOM 0 HA VAL A 99 1.366 8.524 13.366 1.00 21.03 H new ATOM 0 HB VAL A 99 0.267 9.912 15.059 1.00 64.41 H new ATOM 0 HG11 VAL A 99 2.202 11.218 15.833 1.00 70.25 H new ATOM 0 HG12 VAL A 99 2.683 9.611 15.239 1.00 70.25 H new ATOM 0 HG13 VAL A 99 2.953 11.050 14.228 1.00 70.25 H new ATOM 0 HG21 VAL A 99 0.238 12.367 14.872 1.00 71.40 H new ATOM 0 HG22 VAL A 99 0.905 12.245 13.227 1.00 71.40 H new ATOM 0 HG23 VAL A 99 -0.713 11.594 13.581 1.00 71.40 H new ATOM 1476 N GLN A 100 -0.686 10.177 11.464 1.00 4.12 N ATOM 1477 CA GLN A 100 -1.983 10.138 10.799 1.00 4.10 C ATOM 1478 C GLN A 100 -1.944 9.217 9.584 1.00 40.15 C ATOM 1479 O GLN A 100 -1.527 9.622 8.499 1.00 32.22 O ATOM 1480 CB GLN A 100 -2.404 11.546 10.373 1.00 33.50 C ATOM 1481 CG GLN A 100 -2.259 12.583 11.475 1.00 4.20 C ATOM 1482 CD GLN A 100 -2.591 13.985 11.004 1.00 14.33 C ATOM 1483 OE1 GLN A 100 -3.662 14.228 10.448 1.00 41.25 O ATOM 1484 NE2 GLN A 100 -1.671 14.918 11.224 1.00 63.21 N ATOM 0 H GLN A 100 -0.040 10.873 11.090 1.00 4.12 H new ATOM 0 HA GLN A 100 -2.714 9.746 11.506 1.00 4.10 H new ATOM 0 HB2 GLN A 100 -1.804 11.852 9.516 1.00 33.50 H new ATOM 0 HB3 GLN A 100 -3.442 11.522 10.043 1.00 33.50 H new ATOM 0 HG2 GLN A 100 -2.913 12.319 12.306 1.00 4.20 H new ATOM 0 HG3 GLN A 100 -1.237 12.564 11.855 1.00 4.20 H new ATOM 0 HE21 GLN A 100 -0.797 14.673 11.689 1.00 63.21 H new ATOM 0 HE22 GLN A 100 -1.839 15.880 10.928 1.00 63.21 H new ATOM 1491 N TRP A 101 -2.383 7.978 9.773 1.00 35.40 N ATOM 1492 CA TRP A 101 -2.398 6.999 8.692 1.00 52.02 C ATOM 1493 C TRP A 101 -3.745 6.996 7.979 1.00 72.42 C ATOM 1494 O TRP A 101 -4.742 6.510 8.516 1.00 51.25 O ATOM 1495 CB TRP A 101 -2.092 5.603 9.236 1.00 20.21 C ATOM 1496 CG TRP A 101 -0.995 5.591 10.258 1.00 21.32 C ATOM 1497 CD1 TRP A 101 0.127 6.370 10.267 1.00 64.25 C ATOM 1498 CD2 TRP A 101 -0.916 4.758 11.420 1.00 5.14 C ATOM 1499 NE1 TRP A 101 0.899 6.071 11.363 1.00 42.33 N ATOM 1500 CE2 TRP A 101 0.281 5.085 12.087 1.00 55.32 C ATOM 1501 CE3 TRP A 101 -1.738 3.767 11.962 1.00 43.22 C ATOM 1502 CZ2 TRP A 101 0.672 4.458 13.267 1.00 41.34 C ATOM 1503 CZ3 TRP A 101 -1.349 3.144 13.133 1.00 43.14 C ATOM 1504 CH2 TRP A 101 -0.153 3.492 13.775 1.00 43.41 C ATOM 0 H TRP A 101 -2.733 7.627 10.664 1.00 35.40 H new ATOM 0 HA TRP A 101 -1.628 7.278 7.973 1.00 52.02 H new ATOM 0 HB2 TRP A 101 -2.997 5.187 9.680 1.00 20.21 H new ATOM 0 HB3 TRP A 101 -1.814 4.951 8.408 1.00 20.21 H new ATOM 0 HD1 TRP A 101 0.371 7.112 9.522 1.00 64.25 H new ATOM 0 HE1 TRP A 101 1.788 6.511 11.600 1.00 42.33 H new ATOM 0 HE3 TRP A 101 -2.662 3.492 11.474 1.00 43.22 H new ATOM 0 HZ2 TRP A 101 1.593 4.725 13.763 1.00 41.34 H new ATOM 0 HZ3 TRP A 101 -1.977 2.376 13.560 1.00 43.14 H new ATOM 0 HH2 TRP A 101 0.123 2.988 14.689 1.00 43.41 H new ATOM 1514 N THR A 102 -3.771 7.540 6.766 1.00 34.21 N ATOM 1515 CA THR A 102 -4.996 7.601 5.981 1.00 25.50 C ATOM 1516 C THR A 102 -5.117 6.395 5.056 1.00 21.12 C ATOM 1517 O THR A 102 -4.305 6.212 4.149 1.00 23.41 O ATOM 1518 CB THR A 102 -5.060 8.888 5.138 1.00 43.15 C ATOM 1519 OG1 THR A 102 -5.045 10.036 5.994 1.00 60.12 O ATOM 1520 CG2 THR A 102 -6.313 8.909 4.275 1.00 72.34 C ATOM 0 H THR A 102 -2.956 7.945 6.306 1.00 34.21 H new ATOM 0 HA THR A 102 -5.825 7.598 6.689 1.00 25.50 H new ATOM 0 HB THR A 102 -4.188 8.911 4.485 1.00 43.15 H new ATOM 0 HG1 THR A 102 -5.084 10.850 5.450 1.00 60.12 H new ATOM 0 HG21 THR A 102 -6.336 9.828 3.689 1.00 72.34 H new ATOM 0 HG22 THR A 102 -6.307 8.050 3.604 1.00 72.34 H new ATOM 0 HG23 THR A 102 -7.195 8.864 4.913 1.00 72.34 H new ATOM 1528 N VAL A 103 -6.136 5.574 5.291 1.00 75.22 N ATOM 1529 CA VAL A 103 -6.364 4.386 4.478 1.00 5.20 C ATOM 1530 C VAL A 103 -7.159 4.724 3.222 1.00 3.41 C ATOM 1531 O VAL A 103 -8.130 5.480 3.273 1.00 35.52 O ATOM 1532 CB VAL A 103 -7.114 3.299 5.270 1.00 4.11 C ATOM 1533 CG1 VAL A 103 -7.360 2.076 4.399 1.00 0.22 C ATOM 1534 CG2 VAL A 103 -6.339 2.923 6.524 1.00 52.53 C ATOM 0 H VAL A 103 -6.817 5.710 6.038 1.00 75.22 H new ATOM 0 HA VAL A 103 -5.383 4.005 4.192 1.00 5.20 H new ATOM 0 HB VAL A 103 -8.081 3.699 5.574 1.00 4.11 H new ATOM 0 HG11 VAL A 103 -7.891 1.319 4.976 1.00 0.22 H new ATOM 0 HG12 VAL A 103 -7.960 2.360 3.534 1.00 0.22 H new ATOM 0 HG13 VAL A 103 -6.406 1.672 4.062 1.00 0.22 H new ATOM 0 HG21 VAL A 103 -6.884 2.154 7.071 1.00 52.53 H new ATOM 0 HG22 VAL A 103 -5.357 2.543 6.244 1.00 52.53 H new ATOM 0 HG23 VAL A 103 -6.221 3.803 7.156 1.00 52.53 H new ATOM 1544 N TYR A 104 -6.742 4.159 2.094 1.00 64.42 N ATOM 1545 CA TYR A 104 -7.415 4.402 0.824 1.00 4.14 C ATOM 1546 C TYR A 104 -8.846 3.878 0.856 1.00 63.24 C ATOM 1547 O TYR A 104 -9.093 2.700 0.599 1.00 64.12 O ATOM 1548 CB TYR A 104 -6.643 3.740 -0.320 1.00 73.22 C ATOM 1549 CG TYR A 104 -5.588 4.633 -0.934 1.00 20.24 C ATOM 1550 CD1 TYR A 104 -4.760 5.413 -0.137 1.00 15.01 C ATOM 1551 CD2 TYR A 104 -5.418 4.693 -2.312 1.00 32.24 C ATOM 1552 CE1 TYR A 104 -3.795 6.230 -0.693 1.00 41.43 C ATOM 1553 CE2 TYR A 104 -4.454 5.506 -2.877 1.00 4.30 C ATOM 1554 CZ TYR A 104 -3.646 6.273 -2.064 1.00 34.15 C ATOM 1555 OH TYR A 104 -2.685 7.084 -2.622 1.00 74.13 O ATOM 0 H TYR A 104 -5.941 3.530 2.034 1.00 64.42 H new ATOM 0 HA TYR A 104 -7.446 5.479 0.659 1.00 4.14 H new ATOM 0 HB2 TYR A 104 -6.168 2.832 0.051 1.00 73.22 H new ATOM 0 HB3 TYR A 104 -7.347 3.437 -1.095 1.00 73.22 H new ATOM 0 HD1 TYR A 104 -4.873 5.380 0.937 1.00 15.01 H new ATOM 0 HD2 TYR A 104 -6.050 4.094 -2.952 1.00 32.24 H new ATOM 0 HE1 TYR A 104 -3.161 6.831 -0.058 1.00 41.43 H new ATOM 0 HE2 TYR A 104 -4.334 5.541 -3.950 1.00 4.30 H new ATOM 0 HH TYR A 104 -3.051 7.527 -3.416 1.00 74.13 H new ATOM 1632 N LYS A 111 -11.770 1.002 3.374 1.00 45.53 N ATOM 1633 CA LYS A 111 -11.575 -0.430 3.176 1.00 51.35 C ATOM 1634 C LYS A 111 -10.176 -0.720 2.644 1.00 32.21 C ATOM 1635 O LYS A 111 -9.320 0.164 2.605 1.00 2.21 O ATOM 1636 CB LYS A 111 -12.624 -0.978 2.206 1.00 45.45 C ATOM 1637 CG LYS A 111 -13.282 -2.262 2.682 1.00 1.24 C ATOM 1638 CD LYS A 111 -14.067 -2.044 3.964 1.00 1.13 C ATOM 1639 CE LYS A 111 -15.566 -2.053 3.708 1.00 52.41 C ATOM 1640 NZ LYS A 111 -16.062 -3.415 3.367 1.00 51.14 N ATOM 0 HA LYS A 111 -11.687 -0.924 4.141 1.00 51.35 H new ATOM 0 HB2 LYS A 111 -13.393 -0.222 2.051 1.00 45.45 H new ATOM 0 HB3 LYS A 111 -12.154 -1.158 1.239 1.00 45.45 H new ATOM 0 HG2 LYS A 111 -13.948 -2.640 1.906 1.00 1.24 H new ATOM 0 HG3 LYS A 111 -12.520 -3.023 2.846 1.00 1.24 H new ATOM 0 HD2 LYS A 111 -13.815 -2.823 4.683 1.00 1.13 H new ATOM 0 HD3 LYS A 111 -13.779 -1.093 4.411 1.00 1.13 H new ATOM 0 HE2 LYS A 111 -16.088 -1.687 4.592 1.00 52.41 H new ATOM 0 HE3 LYS A 111 -15.800 -1.367 2.894 1.00 52.41 H new ATOM 0 HZ1 LYS A 111 -17.095 -3.447 3.481 1.00 51.14 H new ATOM 0 HZ2 LYS A 111 -15.816 -3.637 2.381 1.00 51.14 H new ATOM 0 HZ3 LYS A 111 -15.622 -4.113 4.000 1.00 51.14 H new ATOM 1650 N VAL A 112 -9.949 -1.965 2.234 1.00 33.42 N ATOM 1651 CA VAL A 112 -8.654 -2.371 1.702 1.00 13.13 C ATOM 1652 C VAL A 112 -8.642 -2.309 0.179 1.00 34.14 C ATOM 1653 O VAL A 112 -9.692 -2.333 -0.463 1.00 33.43 O ATOM 1654 CB VAL A 112 -8.286 -3.798 2.151 1.00 11.11 C ATOM 1655 CG1 VAL A 112 -8.314 -3.905 3.668 1.00 12.20 C ATOM 1656 CG2 VAL A 112 -9.225 -4.813 1.518 1.00 72.10 C ATOM 0 H VAL A 112 -10.646 -2.709 2.260 1.00 33.42 H new ATOM 0 HA VAL A 112 -7.916 -1.673 2.096 1.00 13.13 H new ATOM 0 HB VAL A 112 -7.272 -4.016 1.815 1.00 11.11 H new ATOM 0 HG11 VAL A 112 -8.051 -4.920 3.966 1.00 12.20 H new ATOM 0 HG12 VAL A 112 -7.597 -3.204 4.095 1.00 12.20 H new ATOM 0 HG13 VAL A 112 -9.314 -3.667 4.031 1.00 12.20 H new ATOM 0 HG21 VAL A 112 -8.951 -5.816 1.846 1.00 72.10 H new ATOM 0 HG22 VAL A 112 -10.250 -4.599 1.822 1.00 72.10 H new ATOM 0 HG23 VAL A 112 -9.148 -4.752 0.432 1.00 72.10 H new ATOM 1666 N PHE A 113 -7.445 -2.229 -0.394 1.00 70.33 N ATOM 1667 CA PHE A 113 -7.295 -2.164 -1.844 1.00 72.41 C ATOM 1668 C PHE A 113 -7.052 -3.552 -2.429 1.00 62.55 C ATOM 1669 O PHE A 113 -6.184 -4.289 -1.964 1.00 2.54 O ATOM 1670 CB PHE A 113 -6.139 -1.233 -2.215 1.00 41.31 C ATOM 1671 CG PHE A 113 -6.578 0.008 -2.940 1.00 31.32 C ATOM 1672 CD1 PHE A 113 -7.646 0.757 -2.474 1.00 61.13 C ATOM 1673 CD2 PHE A 113 -5.922 0.425 -4.087 1.00 63.34 C ATOM 1674 CE1 PHE A 113 -8.053 1.899 -3.138 1.00 53.21 C ATOM 1675 CE2 PHE A 113 -6.325 1.566 -4.755 1.00 22.03 C ATOM 1676 CZ PHE A 113 -7.391 2.304 -4.281 1.00 24.40 C ATOM 0 H PHE A 113 -6.566 -2.208 0.123 1.00 70.33 H new ATOM 0 HA PHE A 113 -8.221 -1.770 -2.263 1.00 72.41 H new ATOM 0 HB2 PHE A 113 -5.609 -0.945 -1.307 1.00 41.31 H new ATOM 0 HB3 PHE A 113 -5.430 -1.777 -2.839 1.00 41.31 H new ATOM 0 HD1 PHE A 113 -8.167 0.445 -1.581 1.00 61.13 H new ATOM 0 HD2 PHE A 113 -5.087 -0.148 -4.463 1.00 63.34 H new ATOM 0 HE1 PHE A 113 -8.887 2.474 -2.764 1.00 53.21 H new ATOM 0 HE2 PHE A 113 -5.806 1.880 -5.648 1.00 22.03 H new ATOM 0 HZ PHE A 113 -7.707 3.196 -4.802 1.00 24.40 H new ATOM 1685 N GLN A 114 -7.830 -3.901 -3.449 1.00 14.15 N ATOM 1686 CA GLN A 114 -7.701 -5.201 -4.097 1.00 54.42 C ATOM 1687 C GLN A 114 -6.532 -5.208 -5.076 1.00 13.14 C ATOM 1688 O GLN A 114 -6.279 -4.220 -5.765 1.00 64.33 O ATOM 1689 CB GLN A 114 -8.996 -5.559 -4.829 1.00 21.23 C ATOM 1690 CG GLN A 114 -9.471 -4.481 -5.788 1.00 43.44 C ATOM 1691 CD GLN A 114 -10.919 -4.093 -5.560 1.00 15.13 C ATOM 1692 OE1 GLN A 114 -11.260 -2.909 -5.543 1.00 4.44 O ATOM 1693 NE2 GLN A 114 -11.778 -5.088 -5.381 1.00 44.44 N ATOM 0 H GLN A 114 -8.555 -3.302 -3.844 1.00 14.15 H new ATOM 0 HA GLN A 114 -7.509 -5.946 -3.325 1.00 54.42 H new ATOM 0 HB2 GLN A 114 -8.846 -6.486 -5.383 1.00 21.23 H new ATOM 0 HB3 GLN A 114 -9.778 -5.750 -4.094 1.00 21.23 H new ATOM 0 HG2 GLN A 114 -8.841 -3.599 -5.678 1.00 43.44 H new ATOM 0 HG3 GLN A 114 -9.350 -4.833 -6.813 1.00 43.44 H new ATOM 0 HE21 GLN A 114 -11.451 -6.054 -5.403 1.00 44.44 H new ATOM 0 HE22 GLN A 114 -12.765 -4.887 -5.221 1.00 44.44 H new ATOM 1700 N GLY A 115 -5.818 -6.329 -5.129 1.00 64.11 N ATOM 1701 CA GLY A 115 -4.683 -6.444 -6.026 1.00 12.50 C ATOM 1702 C GLY A 115 -5.091 -6.842 -7.430 1.00 40.44 C ATOM 1703 O GLY A 115 -5.934 -6.192 -8.046 1.00 44.25 O ATOM 0 H GLY A 115 -6.006 -7.159 -4.567 1.00 64.11 H new ATOM 0 HA2 GLY A 115 -4.154 -5.492 -6.061 1.00 12.50 H new ATOM 0 HA3 GLY A 115 -3.985 -7.182 -5.631 1.00 12.50 H new ATOM 1707 N ASN A 116 -4.490 -7.913 -7.939 1.00 32.53 N ATOM 1708 CA ASN A 116 -4.794 -8.396 -9.281 1.00 34.34 C ATOM 1709 C ASN A 116 -4.658 -9.914 -9.355 1.00 61.15 C ATOM 1710 O ASN A 116 -4.402 -10.576 -8.349 1.00 23.21 O ATOM 1711 CB ASN A 116 -3.867 -7.739 -10.304 1.00 13.22 C ATOM 1712 CG ASN A 116 -2.416 -7.751 -9.862 1.00 32.42 C ATOM 1713 OD1 ASN A 116 -1.827 -8.811 -9.652 1.00 62.10 O ATOM 1714 ND2 ASN A 116 -1.832 -6.567 -9.715 1.00 42.33 N ATOM 0 H ASN A 116 -3.789 -8.463 -7.442 1.00 32.53 H new ATOM 0 HA ASN A 116 -5.825 -8.129 -9.512 1.00 34.34 H new ATOM 0 HB2 ASN A 116 -3.957 -8.258 -11.258 1.00 13.22 H new ATOM 0 HB3 ASN A 116 -4.185 -6.710 -10.470 1.00 13.22 H new ATOM 0 HD21 ASN A 116 -0.858 -6.512 -9.417 1.00 42.33 H new ATOM 0 HD22 ASN A 116 -2.358 -5.713 -9.900 1.00 42.33 H new ATOM 1720 N LEU A 117 -4.832 -10.459 -10.554 1.00 63.34 N ATOM 1721 CA LEU A 117 -4.728 -11.900 -10.762 1.00 71.44 C ATOM 1722 C LEU A 117 -3.622 -12.228 -11.760 1.00 15.10 C ATOM 1723 O LEU A 117 -3.747 -13.158 -12.556 1.00 42.13 O ATOM 1724 CB LEU A 117 -6.062 -12.460 -11.260 1.00 40.23 C ATOM 1725 CG LEU A 117 -7.209 -12.464 -10.248 1.00 55.21 C ATOM 1726 CD1 LEU A 117 -8.537 -12.213 -10.945 1.00 23.22 C ATOM 1727 CD2 LEU A 117 -7.243 -13.780 -9.486 1.00 73.00 C ATOM 0 H LEU A 117 -5.046 -9.926 -11.397 1.00 63.34 H new ATOM 0 HA LEU A 117 -4.479 -12.363 -9.807 1.00 71.44 H new ATOM 0 HB2 LEU A 117 -6.374 -11.882 -12.130 1.00 40.23 H new ATOM 0 HB3 LEU A 117 -5.900 -13.483 -11.599 1.00 40.23 H new ATOM 0 HG LEU A 117 -7.041 -11.659 -9.533 1.00 55.21 H new ATOM 0 HD11 LEU A 117 -9.341 -12.219 -10.209 1.00 23.22 H new ATOM 0 HD12 LEU A 117 -8.509 -11.244 -11.443 1.00 23.22 H new ATOM 0 HD13 LEU A 117 -8.714 -12.995 -11.683 1.00 23.22 H new ATOM 0 HD21 LEU A 117 -8.065 -13.765 -8.771 1.00 73.00 H new ATOM 0 HD22 LEU A 117 -7.387 -14.603 -10.187 1.00 73.00 H new ATOM 0 HD23 LEU A 117 -6.302 -13.917 -8.954 1.00 73.00 H new ATOM 1738 N ASP A 118 -2.540 -11.459 -11.709 1.00 32.53 N ATOM 1739 CA ASP A 118 -1.409 -11.671 -12.605 1.00 71.04 C ATOM 1740 C ASP A 118 -0.127 -11.101 -12.005 1.00 4.42 C ATOM 1741 O ASP A 118 -0.163 -10.368 -11.018 1.00 65.22 O ATOM 1742 CB ASP A 118 -1.682 -11.025 -13.964 1.00 12.20 C ATOM 1743 CG ASP A 118 -2.267 -9.632 -13.836 1.00 3.55 C ATOM 1744 OD1 ASP A 118 -1.629 -8.778 -13.186 1.00 1.42 O ATOM 1745 OD2 ASP A 118 -3.361 -9.395 -14.388 1.00 44.13 O ATOM 0 H ASP A 118 -2.422 -10.683 -11.057 1.00 32.53 H new ATOM 0 HA ASP A 118 -1.279 -12.745 -12.741 1.00 71.04 H new ATOM 0 HB2 ASP A 118 -0.753 -10.975 -14.532 1.00 12.20 H new ATOM 0 HB3 ASP A 118 -2.369 -11.654 -14.530 1.00 12.20 H new ATOM 1749 N ASN A 119 1.006 -11.446 -12.609 1.00 12.34 N ATOM 1750 CA ASN A 119 2.301 -10.970 -12.133 1.00 45.31 C ATOM 1751 C ASN A 119 3.036 -10.207 -13.231 1.00 42.31 C ATOM 1752 O ASN A 119 3.747 -9.241 -12.959 1.00 43.15 O ATOM 1753 CB ASN A 119 3.154 -12.147 -11.655 1.00 75.21 C ATOM 1754 CG ASN A 119 3.871 -12.843 -12.796 1.00 32.44 C ATOM 1755 OD1 ASN A 119 5.095 -12.777 -12.907 1.00 70.52 O ATOM 1756 ND2 ASN A 119 3.109 -13.516 -13.650 1.00 54.32 N ATOM 0 H ASN A 119 1.054 -12.052 -13.428 1.00 12.34 H new ATOM 0 HA ASN A 119 2.128 -10.292 -11.297 1.00 45.31 H new ATOM 0 HB2 ASN A 119 3.888 -11.790 -10.932 1.00 75.21 H new ATOM 0 HB3 ASN A 119 2.519 -12.865 -11.137 1.00 75.21 H new ATOM 0 HD21 ASN A 119 3.535 -14.005 -14.437 1.00 54.32 H new ATOM 0 HD22 ASN A 119 2.098 -13.544 -13.519 1.00 54.32 H new ATOM 1762 N ASN A 120 2.859 -10.648 -14.473 1.00 22.43 N ATOM 1763 CA ASN A 120 3.505 -10.008 -15.611 1.00 13.22 C ATOM 1764 C ASN A 120 2.799 -8.704 -15.975 1.00 21.11 C ATOM 1765 O ASN A 120 3.388 -7.820 -16.597 1.00 34.34 O ATOM 1766 CB ASN A 120 3.514 -10.950 -16.817 1.00 70.53 C ATOM 1767 CG ASN A 120 4.744 -11.836 -16.849 1.00 24.22 C ATOM 1768 OD1 ASN A 120 5.869 -11.362 -16.694 1.00 73.53 O ATOM 1769 ND2 ASN A 120 4.534 -13.132 -17.052 1.00 75.14 N ATOM 0 H ASN A 120 2.273 -11.447 -14.716 1.00 22.43 H new ATOM 0 HA ASN A 120 4.533 -9.779 -15.331 1.00 13.22 H new ATOM 0 HB2 ASN A 120 2.621 -11.574 -16.794 1.00 70.53 H new ATOM 0 HB3 ASN A 120 3.469 -10.362 -17.734 1.00 70.53 H new ATOM 0 HD21 ASN A 120 5.323 -13.778 -17.084 1.00 75.14 H new ATOM 0 HD22 ASN A 120 3.584 -13.481 -17.176 1.00 75.14 H new ATOM 1775 N SER A 121 1.534 -8.594 -15.582 1.00 52.20 N ATOM 1776 CA SER A 121 0.747 -7.401 -15.869 1.00 52.45 C ATOM 1777 C SER A 121 0.772 -6.436 -14.688 1.00 70.32 C ATOM 1778 O SER A 121 0.826 -6.854 -13.531 1.00 74.32 O ATOM 1779 CB SER A 121 -0.698 -7.784 -16.199 1.00 22.05 C ATOM 1780 OG SER A 121 -0.809 -9.172 -16.462 1.00 12.40 O ATOM 0 H SER A 121 1.033 -9.316 -15.064 1.00 52.20 H new ATOM 0 HA SER A 121 1.190 -6.903 -16.732 1.00 52.45 H new ATOM 0 HB2 SER A 121 -1.348 -7.515 -15.367 1.00 22.05 H new ATOM 0 HB3 SER A 121 -1.039 -7.218 -17.066 1.00 22.05 H new ATOM 0 HG SER A 121 -1.741 -9.392 -16.668 1.00 12.40 H new ATOM 1785 N HIS A 122 0.733 -5.141 -14.988 1.00 64.14 N ATOM 1786 CA HIS A 122 0.751 -4.115 -13.952 1.00 71.52 C ATOM 1787 C HIS A 122 -0.649 -3.552 -13.721 1.00 11.11 C ATOM 1788 O HIS A 122 -1.446 -3.440 -14.653 1.00 21.43 O ATOM 1789 CB HIS A 122 1.710 -2.988 -14.336 1.00 64.30 C ATOM 1790 CG HIS A 122 1.170 -2.077 -15.395 1.00 5.31 C ATOM 1791 ND1 HIS A 122 1.115 -0.707 -15.254 1.00 24.13 N ATOM 1792 CD2 HIS A 122 0.660 -2.349 -16.620 1.00 13.54 C ATOM 1793 CE1 HIS A 122 0.594 -0.174 -16.344 1.00 2.43 C ATOM 1794 NE2 HIS A 122 0.310 -1.149 -17.190 1.00 31.33 N ATOM 0 H HIS A 122 0.689 -4.778 -15.940 1.00 64.14 H new ATOM 0 HA HIS A 122 1.096 -4.575 -13.026 1.00 71.52 H new ATOM 0 HB2 HIS A 122 1.942 -2.401 -13.447 1.00 64.30 H new ATOM 0 HB3 HIS A 122 2.647 -3.422 -14.685 1.00 64.30 H new ATOM 0 HD2 HIS A 122 0.549 -3.327 -17.065 1.00 13.54 H new ATOM 0 HE1 HIS A 122 0.428 0.879 -16.515 1.00 2.43 H new ATOM 0 HE2 HIS A 122 -0.102 -1.030 -18.115 1.00 31.33 H new ATOM 1801 N LYS A 123 -0.940 -3.199 -12.474 1.00 71.21 N ATOM 1802 CA LYS A 123 -2.242 -2.646 -12.120 1.00 62.42 C ATOM 1803 C LYS A 123 -2.093 -1.273 -11.471 1.00 21.34 C ATOM 1804 O LYS A 123 -1.805 -1.167 -10.279 1.00 74.32 O ATOM 1805 CB LYS A 123 -2.980 -3.593 -11.170 1.00 44.23 C ATOM 1806 CG LYS A 123 -4.257 -3.005 -10.595 1.00 24.02 C ATOM 1807 CD LYS A 123 -5.022 -4.030 -9.774 1.00 53.24 C ATOM 1808 CE LYS A 123 -6.427 -3.545 -9.447 1.00 15.24 C ATOM 1809 NZ LYS A 123 -6.409 -2.384 -8.514 1.00 24.00 N ATOM 0 H LYS A 123 -0.292 -3.286 -11.691 1.00 71.21 H new ATOM 0 HA LYS A 123 -2.822 -2.534 -13.036 1.00 62.42 H new ATOM 0 HB2 LYS A 123 -3.221 -4.513 -11.703 1.00 44.23 H new ATOM 0 HB3 LYS A 123 -2.314 -3.864 -10.351 1.00 44.23 H new ATOM 0 HG2 LYS A 123 -4.014 -2.145 -9.971 1.00 24.02 H new ATOM 0 HG3 LYS A 123 -4.889 -2.642 -11.406 1.00 24.02 H new ATOM 0 HD2 LYS A 123 -5.079 -4.969 -10.324 1.00 53.24 H new ATOM 0 HD3 LYS A 123 -4.482 -4.234 -8.850 1.00 53.24 H new ATOM 0 HE2 LYS A 123 -6.938 -3.263 -10.368 1.00 15.24 H new ATOM 0 HE3 LYS A 123 -6.998 -4.360 -9.002 1.00 15.24 H new ATOM 0 HZ1 LYS A 123 -7.384 -2.083 -8.316 1.00 24.00 H new ATOM 0 HZ2 LYS A 123 -5.944 -2.660 -7.625 1.00 24.00 H new ATOM 0 HZ3 LYS A 123 -5.886 -1.597 -8.949 1.00 24.00 H new ATOM 1819 N LYS A 124 -2.292 -0.225 -12.263 1.00 60.43 N ATOM 1820 CA LYS A 124 -2.183 1.141 -11.766 1.00 53.41 C ATOM 1821 C LYS A 124 -3.544 1.672 -11.328 1.00 51.02 C ATOM 1822 O LYS A 124 -4.530 1.549 -12.053 1.00 22.44 O ATOM 1823 CB LYS A 124 -1.591 2.051 -12.844 1.00 54.40 C ATOM 1824 CG LYS A 124 -2.528 2.301 -14.012 1.00 62.34 C ATOM 1825 CD LYS A 124 -1.787 2.862 -15.214 1.00 15.15 C ATOM 1826 CE LYS A 124 -2.111 4.332 -15.432 1.00 44.31 C ATOM 1827 NZ LYS A 124 -1.254 4.937 -16.489 1.00 5.43 N ATOM 0 H LYS A 124 -2.530 -0.296 -13.252 1.00 60.43 H new ATOM 0 HA LYS A 124 -1.521 1.134 -10.900 1.00 53.41 H new ATOM 0 HB2 LYS A 124 -1.323 3.007 -12.393 1.00 54.40 H new ATOM 0 HB3 LYS A 124 -0.669 1.605 -13.218 1.00 54.40 H new ATOM 0 HG2 LYS A 124 -3.020 1.369 -14.290 1.00 62.34 H new ATOM 0 HG3 LYS A 124 -3.310 2.997 -13.709 1.00 62.34 H new ATOM 0 HD2 LYS A 124 -0.713 2.743 -15.069 1.00 15.15 H new ATOM 0 HD3 LYS A 124 -2.054 2.294 -16.105 1.00 15.15 H new ATOM 0 HE2 LYS A 124 -3.160 4.435 -15.711 1.00 44.31 H new ATOM 0 HE3 LYS A 124 -1.975 4.877 -14.498 1.00 44.31 H new ATOM 0 HZ1 LYS A 124 -1.505 5.939 -16.608 1.00 5.43 H new ATOM 0 HZ2 LYS A 124 -0.255 4.861 -16.211 1.00 5.43 H new ATOM 0 HZ3 LYS A 124 -1.403 4.434 -17.387 1.00 5.43 H new ATOM 1837 N ASN A 125 -3.589 2.264 -10.140 1.00 34.23 N ATOM 1838 CA ASN A 125 -4.830 2.816 -9.606 1.00 5.24 C ATOM 1839 C ASN A 125 -4.748 4.335 -9.500 1.00 62.32 C ATOM 1840 O ASN A 125 -3.679 4.894 -9.257 1.00 71.03 O ATOM 1841 CB ASN A 125 -5.132 2.211 -8.233 1.00 13.20 C ATOM 1842 CG ASN A 125 -6.618 2.017 -8.001 1.00 4.43 C ATOM 1843 OD1 ASN A 125 -7.137 0.908 -8.129 1.00 44.55 O ATOM 1844 ND2 ASN A 125 -7.309 3.097 -7.659 1.00 54.15 N ATOM 0 H ASN A 125 -2.781 2.374 -9.528 1.00 34.23 H new ATOM 0 HA ASN A 125 -5.638 2.562 -10.292 1.00 5.24 H new ATOM 0 HB2 ASN A 125 -4.624 1.251 -8.143 1.00 13.20 H new ATOM 0 HB3 ASN A 125 -4.727 2.860 -7.456 1.00 13.20 H new ATOM 0 HD21 ASN A 125 -8.313 3.028 -7.490 1.00 54.15 H new ATOM 0 HD22 ASN A 125 -6.837 3.996 -7.565 1.00 54.15 H new ATOM 1850 N ILE A 126 -5.886 4.997 -9.682 1.00 40.42 N ATOM 1851 CA ILE A 126 -5.944 6.451 -9.605 1.00 61.14 C ATOM 1852 C ILE A 126 -5.416 6.951 -8.265 1.00 15.12 C ATOM 1853 O ILE A 126 -5.353 6.202 -7.291 1.00 32.45 O ATOM 1854 CB ILE A 126 -7.381 6.969 -9.803 1.00 21.10 C ATOM 1855 CG1 ILE A 126 -7.367 8.462 -10.137 1.00 41.52 C ATOM 1856 CG2 ILE A 126 -8.215 6.707 -8.558 1.00 31.21 C ATOM 1857 CD1 ILE A 126 -8.488 8.884 -11.061 1.00 61.43 C ATOM 0 H ILE A 126 -6.780 4.549 -9.884 1.00 40.42 H new ATOM 0 HA ILE A 126 -5.315 6.835 -10.408 1.00 61.14 H new ATOM 0 HB ILE A 126 -7.832 6.433 -10.638 1.00 21.10 H new ATOM 0 HG12 ILE A 126 -7.435 9.034 -9.212 1.00 41.52 H new ATOM 0 HG13 ILE A 126 -6.412 8.714 -10.598 1.00 41.52 H new ATOM 0 HG21 ILE A 126 -9.228 7.079 -8.714 1.00 31.21 H new ATOM 0 HG22 ILE A 126 -8.248 5.635 -8.361 1.00 31.21 H new ATOM 0 HG23 ILE A 126 -7.768 7.219 -7.706 1.00 31.21 H new ATOM 0 HD11 ILE A 126 -8.416 9.954 -11.255 1.00 61.43 H new ATOM 0 HD12 ILE A 126 -8.409 8.339 -12.001 1.00 61.43 H new ATOM 0 HD13 ILE A 126 -9.448 8.664 -10.593 1.00 61.43 H new ATOM 1868 N PHE A 127 -5.039 8.226 -8.222 1.00 5.24 N ATOM 1869 CA PHE A 127 -4.516 8.828 -7.002 1.00 24.44 C ATOM 1870 C PHE A 127 -5.322 8.378 -5.786 1.00 14.35 C ATOM 1871 O PHE A 127 -4.763 7.873 -4.811 1.00 50.13 O ATOM 1872 CB PHE A 127 -4.542 10.353 -7.108 1.00 54.12 C ATOM 1873 CG PHE A 127 -5.564 10.868 -8.081 1.00 51.44 C ATOM 1874 CD1 PHE A 127 -6.869 11.101 -7.677 1.00 22.01 C ATOM 1875 CD2 PHE A 127 -5.220 11.122 -9.400 1.00 20.54 C ATOM 1876 CE1 PHE A 127 -7.812 11.574 -8.571 1.00 10.25 C ATOM 1877 CE2 PHE A 127 -6.157 11.596 -10.297 1.00 25.41 C ATOM 1878 CZ PHE A 127 -7.455 11.823 -9.882 1.00 12.41 C ATOM 0 H PHE A 127 -5.086 8.861 -9.019 1.00 5.24 H new ATOM 0 HA PHE A 127 -3.485 8.498 -6.877 1.00 24.44 H new ATOM 0 HB2 PHE A 127 -4.744 10.774 -6.123 1.00 54.12 H new ATOM 0 HB3 PHE A 127 -3.555 10.705 -7.409 1.00 54.12 H new ATOM 0 HD1 PHE A 127 -7.153 10.911 -6.652 1.00 22.01 H new ATOM 0 HD2 PHE A 127 -4.207 10.947 -9.730 1.00 20.54 H new ATOM 0 HE1 PHE A 127 -8.827 11.749 -8.245 1.00 10.25 H new ATOM 0 HE2 PHE A 127 -5.875 11.789 -11.322 1.00 25.41 H new ATOM 0 HZ PHE A 127 -8.189 12.195 -10.581 1.00 12.41 H new ATOM 1887 N GLU A 128 -6.636 8.566 -5.851 1.00 24.12 N ATOM 1888 CA GLU A 128 -7.517 8.180 -4.756 1.00 72.32 C ATOM 1889 C GLU A 128 -7.224 9.005 -3.505 1.00 11.43 C ATOM 1890 O GLU A 128 -7.813 8.782 -2.448 1.00 2.33 O ATOM 1891 CB GLU A 128 -7.361 6.690 -4.445 1.00 44.11 C ATOM 1892 CG GLU A 128 -8.683 5.972 -4.226 1.00 12.42 C ATOM 1893 CD GLU A 128 -9.504 5.863 -5.497 1.00 31.55 C ATOM 1894 OE1 GLU A 128 -9.201 4.978 -6.325 1.00 14.45 O ATOM 1895 OE2 GLU A 128 -10.450 6.661 -5.662 1.00 24.33 O ATOM 0 H GLU A 128 -7.114 8.983 -6.650 1.00 24.12 H new ATOM 0 HA GLU A 128 -8.544 8.373 -5.066 1.00 72.32 H new ATOM 0 HB2 GLU A 128 -6.828 6.210 -5.266 1.00 44.11 H new ATOM 0 HB3 GLU A 128 -6.743 6.576 -3.554 1.00 44.11 H new ATOM 0 HG2 GLU A 128 -8.489 4.973 -3.836 1.00 12.42 H new ATOM 0 HG3 GLU A 128 -9.260 6.503 -3.469 1.00 12.42 H new ATOM 1900 N LYS A 129 -6.307 9.959 -3.635 1.00 24.30 N ATOM 1901 CA LYS A 129 -5.934 10.818 -2.518 1.00 42.30 C ATOM 1902 C LYS A 129 -4.655 11.589 -2.829 1.00 34.43 C ATOM 1903 O LYS A 129 -3.603 11.359 -2.232 1.00 2.04 O ATOM 1904 CB LYS A 129 -5.745 9.986 -1.248 1.00 23.03 C ATOM 1905 CG LYS A 129 -6.837 10.197 -0.213 1.00 24.10 C ATOM 1906 CD LYS A 129 -6.262 10.310 1.188 1.00 70.33 C ATOM 1907 CE LYS A 129 -6.406 11.722 1.737 1.00 60.13 C ATOM 1908 NZ LYS A 129 -7.792 11.995 2.210 1.00 2.13 N ATOM 0 H LYS A 129 -5.809 10.156 -4.503 1.00 24.30 H new ATOM 0 HA LYS A 129 -6.740 11.534 -2.358 1.00 42.30 H new ATOM 0 HB2 LYS A 129 -5.711 8.930 -1.517 1.00 23.03 H new ATOM 0 HB3 LYS A 129 -4.781 10.233 -0.802 1.00 23.03 H new ATOM 0 HG2 LYS A 129 -7.396 11.102 -0.452 1.00 24.10 H new ATOM 0 HG3 LYS A 129 -7.542 9.367 -0.252 1.00 24.10 H new ATOM 0 HD2 LYS A 129 -6.770 9.608 1.849 1.00 70.33 H new ATOM 0 HD3 LYS A 129 -5.209 10.029 1.174 1.00 70.33 H new ATOM 0 HE2 LYS A 129 -5.707 11.864 2.561 1.00 60.13 H new ATOM 0 HE3 LYS A 129 -6.138 12.442 0.963 1.00 60.13 H new ATOM 0 HZ1 LYS A 129 -7.849 12.967 2.576 1.00 2.13 H new ATOM 0 HZ2 LYS A 129 -8.457 11.884 1.418 1.00 2.13 H new ATOM 0 HZ3 LYS A 129 -8.039 11.325 2.966 1.00 2.13 H new ATOM 1918 N PRO A 130 -4.745 12.527 -3.783 1.00 61.03 N ATOM 1919 CA PRO A 130 -3.605 13.352 -4.192 1.00 3.22 C ATOM 1920 C PRO A 130 -3.194 14.349 -3.114 1.00 25.12 C ATOM 1921 O PRO A 130 -3.985 15.200 -2.707 1.00 41.42 O ATOM 1922 CB PRO A 130 -4.125 14.087 -5.430 1.00 22.32 C ATOM 1923 CG PRO A 130 -5.604 14.124 -5.255 1.00 33.33 C ATOM 1924 CD PRO A 130 -5.967 12.854 -4.536 1.00 75.35 C ATOM 0 HA PRO A 130 -2.714 12.752 -4.378 1.00 3.22 H new ATOM 0 HB2 PRO A 130 -3.709 15.092 -5.497 1.00 22.32 H new ATOM 0 HB3 PRO A 130 -3.848 13.565 -6.346 1.00 22.32 H new ATOM 0 HG2 PRO A 130 -5.907 14.999 -4.680 1.00 33.33 H new ATOM 0 HG3 PRO A 130 -6.110 14.185 -6.219 1.00 33.33 H new ATOM 0 HD2 PRO A 130 -6.821 12.997 -3.874 1.00 75.35 H new ATOM 0 HD3 PRO A 130 -6.234 12.060 -5.233 1.00 75.35 H new ATOM 1929 N PHE A 131 -1.952 14.239 -2.656 1.00 21.24 N ATOM 1930 CA PHE A 131 -1.437 15.131 -1.623 1.00 0.44 C ATOM 1931 C PHE A 131 -0.019 14.734 -1.220 1.00 62.31 C ATOM 1932 O PHE A 131 0.510 13.724 -1.683 1.00 52.41 O ATOM 1933 CB PHE A 131 -2.352 15.111 -0.398 1.00 73.44 C ATOM 1934 CG PHE A 131 -2.698 16.480 0.113 1.00 40.11 C ATOM 1935 CD1 PHE A 131 -3.222 17.440 -0.738 1.00 32.21 C ATOM 1936 CD2 PHE A 131 -2.502 16.808 1.445 1.00 4.14 C ATOM 1937 CE1 PHE A 131 -3.541 18.701 -0.270 1.00 32.12 C ATOM 1938 CE2 PHE A 131 -2.819 18.067 1.919 1.00 44.30 C ATOM 1939 CZ PHE A 131 -3.340 19.015 1.060 1.00 24.22 C ATOM 0 H PHE A 131 -1.283 13.542 -2.983 1.00 21.24 H new ATOM 0 HA PHE A 131 -1.411 16.142 -2.031 1.00 0.44 H new ATOM 0 HB2 PHE A 131 -3.272 14.583 -0.650 1.00 73.44 H new ATOM 0 HB3 PHE A 131 -1.868 14.546 0.398 1.00 73.44 H new ATOM 0 HD1 PHE A 131 -3.383 17.200 -1.779 1.00 32.21 H new ATOM 0 HD2 PHE A 131 -2.096 16.070 2.121 1.00 4.14 H new ATOM 0 HE1 PHE A 131 -3.947 19.441 -0.944 1.00 32.12 H new ATOM 0 HE2 PHE A 131 -2.660 18.309 2.959 1.00 44.30 H new ATOM 0 HZ PHE A 131 -3.590 19.999 1.427 1.00 24.22 H new ATOM 1948 N MET A 132 0.590 15.536 -0.353 1.00 52.52 N ATOM 1949 CA MET A 132 1.945 15.269 0.114 1.00 31.23 C ATOM 1950 C MET A 132 1.963 14.093 1.087 1.00 54.22 C ATOM 1951 O MET A 132 0.958 13.795 1.732 1.00 5.50 O ATOM 1952 CB MET A 132 2.531 16.512 0.787 1.00 65.33 C ATOM 1953 CG MET A 132 1.680 17.041 1.930 1.00 51.25 C ATOM 1954 SD MET A 132 1.449 18.828 1.854 1.00 54.52 S ATOM 1955 CE MET A 132 0.383 18.970 0.421 1.00 53.53 C ATOM 0 H MET A 132 0.166 16.376 0.040 1.00 52.52 H new ATOM 0 HA MET A 132 2.556 15.012 -0.751 1.00 31.23 H new ATOM 0 HB2 MET A 132 3.526 16.276 1.164 1.00 65.33 H new ATOM 0 HB3 MET A 132 2.651 17.297 0.040 1.00 65.33 H new ATOM 0 HG2 MET A 132 0.706 16.551 1.910 1.00 51.25 H new ATOM 0 HG3 MET A 132 2.149 16.779 2.878 1.00 51.25 H new ATOM 0 HE1 MET A 132 -0.077 19.958 0.406 1.00 53.53 H new ATOM 0 HE2 MET A 132 0.972 18.830 -0.486 1.00 53.53 H new ATOM 0 HE3 MET A 132 -0.395 18.208 0.469 1.00 53.53 H new ATOM 1963 N ALA A 133 3.111 13.432 1.187 1.00 25.13 N ATOM 1964 CA ALA A 133 3.259 12.291 2.082 1.00 42.22 C ATOM 1965 C ALA A 133 4.700 12.155 2.565 1.00 40.24 C ATOM 1966 O ALA A 133 5.640 12.482 1.842 1.00 44.44 O ATOM 1967 CB ALA A 133 2.811 11.014 1.388 1.00 43.23 C ATOM 0 H ALA A 133 3.952 13.667 0.660 1.00 25.13 H new ATOM 0 HA ALA A 133 2.626 12.460 2.953 1.00 42.22 H new ATOM 0 HB1 ALA A 133 2.927 10.170 2.068 1.00 43.23 H new ATOM 0 HB2 ALA A 133 1.764 11.105 1.098 1.00 43.23 H new ATOM 0 HB3 ALA A 133 3.420 10.850 0.499 1.00 43.23 H new ATOM 1973 N ARG A 134 4.864 11.673 3.792 1.00 41.33 N ATOM 1974 CA ARG A 134 6.191 11.497 4.372 1.00 64.24 C ATOM 1975 C ARG A 134 6.463 10.025 4.666 1.00 22.31 C ATOM 1976 O ARG A 134 7.604 9.567 4.588 1.00 22.52 O ATOM 1977 CB ARG A 134 6.322 12.318 5.656 1.00 24.44 C ATOM 1978 CG ARG A 134 7.538 13.228 5.675 1.00 41.42 C ATOM 1979 CD ARG A 134 8.220 13.220 7.034 1.00 4.35 C ATOM 1980 NE ARG A 134 8.605 11.872 7.444 1.00 12.43 N ATOM 1981 CZ ARG A 134 9.129 11.587 8.631 1.00 2.14 C ATOM 1982 NH1 ARG A 134 9.329 12.550 9.520 1.00 43.43 N ATOM 1983 NH2 ARG A 134 9.454 10.335 8.930 1.00 14.12 N ATOM 0 H ARG A 134 4.096 11.397 4.404 1.00 41.33 H new ATOM 0 HA ARG A 134 6.927 11.848 3.649 1.00 64.24 H new ATOM 0 HB2 ARG A 134 5.424 12.923 5.784 1.00 24.44 H new ATOM 0 HB3 ARG A 134 6.373 11.639 6.507 1.00 24.44 H new ATOM 0 HG2 ARG A 134 8.245 12.908 4.910 1.00 41.42 H new ATOM 0 HG3 ARG A 134 7.236 14.245 5.424 1.00 41.42 H new ATOM 0 HD2 ARG A 134 9.105 13.855 6.999 1.00 4.35 H new ATOM 0 HD3 ARG A 134 7.549 13.648 7.779 1.00 4.35 H new ATOM 0 HE ARG A 134 8.464 11.108 6.783 1.00 12.43 H new ATOM 0 HH11 ARG A 134 9.080 13.513 9.293 1.00 43.43 H new ATOM 0 HH12 ARG A 134 9.731 12.328 10.431 1.00 43.43 H new ATOM 0 HH21 ARG A 134 9.301 9.592 8.248 1.00 14.12 H new ATOM 0 HH22 ARG A 134 9.856 10.116 9.841 1.00 14.12 H new ATOM 1994 N TYR A 135 5.410 9.289 5.004 1.00 73.41 N ATOM 1995 CA TYR A 135 5.536 7.869 5.313 1.00 74.31 C ATOM 1996 C TYR A 135 4.194 7.159 5.172 1.00 61.13 C ATOM 1997 O TYR A 135 3.184 7.600 5.721 1.00 21.03 O ATOM 1998 CB TYR A 135 6.079 7.681 6.732 1.00 65.14 C ATOM 1999 CG TYR A 135 5.707 6.352 7.350 1.00 51.32 C ATOM 2000 CD1 TYR A 135 6.516 5.235 7.181 1.00 71.13 C ATOM 2001 CD2 TYR A 135 4.547 6.213 8.103 1.00 55.33 C ATOM 2002 CE1 TYR A 135 6.180 4.019 7.743 1.00 62.20 C ATOM 2003 CE2 TYR A 135 4.204 5.002 8.670 1.00 33.33 C ATOM 2004 CZ TYR A 135 5.024 3.907 8.488 1.00 52.21 C ATOM 2005 OH TYR A 135 4.686 2.698 9.050 1.00 43.45 O ATOM 0 H TYR A 135 4.459 9.652 5.071 1.00 73.41 H new ATOM 0 HA TYR A 135 6.235 7.429 4.602 1.00 74.31 H new ATOM 0 HB2 TYR A 135 7.165 7.772 6.712 1.00 65.14 H new ATOM 0 HB3 TYR A 135 5.704 8.485 7.365 1.00 65.14 H new ATOM 0 HD1 TYR A 135 7.423 5.319 6.600 1.00 71.13 H new ATOM 0 HD2 TYR A 135 3.903 7.068 8.247 1.00 55.33 H new ATOM 0 HE1 TYR A 135 6.819 3.160 7.600 1.00 62.20 H new ATOM 0 HE2 TYR A 135 3.299 4.912 9.253 1.00 33.33 H new ATOM 0 HH TYR A 135 3.991 2.835 9.727 1.00 43.45 H new ATOM 2014 N VAL A 136 4.191 6.057 4.430 1.00 62.30 N ATOM 2015 CA VAL A 136 2.973 5.282 4.216 1.00 70.11 C ATOM 2016 C VAL A 136 3.053 3.928 4.912 1.00 42.51 C ATOM 2017 O VAL A 136 4.138 3.374 5.089 1.00 25.00 O ATOM 2018 CB VAL A 136 2.706 5.061 2.715 1.00 62.31 C ATOM 2019 CG1 VAL A 136 2.854 6.366 1.948 1.00 5.30 C ATOM 2020 CG2 VAL A 136 3.640 3.997 2.159 1.00 12.05 C ATOM 0 H VAL A 136 5.018 5.680 3.967 1.00 62.30 H new ATOM 0 HA VAL A 136 2.152 5.858 4.643 1.00 70.11 H new ATOM 0 HB VAL A 136 1.681 4.711 2.594 1.00 62.31 H new ATOM 0 HG11 VAL A 136 2.662 6.190 0.890 1.00 5.30 H new ATOM 0 HG12 VAL A 136 2.140 7.096 2.330 1.00 5.30 H new ATOM 0 HG13 VAL A 136 3.867 6.749 2.074 1.00 5.30 H new ATOM 0 HG21 VAL A 136 3.437 3.854 1.098 1.00 12.05 H new ATOM 0 HG22 VAL A 136 4.674 4.315 2.291 1.00 12.05 H new ATOM 0 HG23 VAL A 136 3.479 3.058 2.689 1.00 12.05 H new ATOM 2030 N ARG A 137 1.898 3.402 5.304 1.00 73.24 N ATOM 2031 CA ARG A 137 1.837 2.113 5.982 1.00 24.42 C ATOM 2032 C ARG A 137 0.929 1.145 5.229 1.00 42.42 C ATOM 2033 O ARG A 137 -0.160 1.514 4.790 1.00 24.33 O ATOM 2034 CB ARG A 137 1.334 2.290 7.416 1.00 21.34 C ATOM 2035 CG ARG A 137 1.018 0.978 8.116 1.00 63.35 C ATOM 2036 CD ARG A 137 1.226 1.085 9.619 1.00 5.21 C ATOM 2037 NE ARG A 137 1.734 -0.160 10.190 1.00 73.51 N ATOM 2038 CZ ARG A 137 0.982 -1.237 10.389 1.00 13.21 C ATOM 2039 NH1 ARG A 137 -0.303 -1.222 10.063 1.00 63.45 N ATOM 2040 NH2 ARG A 137 1.516 -2.332 10.914 1.00 64.22 N ATOM 0 H ARG A 137 0.992 3.848 5.164 1.00 73.24 H new ATOM 0 HA ARG A 137 2.844 1.696 6.006 1.00 24.42 H new ATOM 0 HB2 ARG A 137 2.087 2.828 7.992 1.00 21.34 H new ATOM 0 HB3 ARG A 137 0.438 2.911 7.404 1.00 21.34 H new ATOM 0 HG2 ARG A 137 -0.014 0.693 7.910 1.00 63.35 H new ATOM 0 HG3 ARG A 137 1.653 0.188 7.715 1.00 63.35 H new ATOM 0 HD2 ARG A 137 1.925 1.894 9.832 1.00 5.21 H new ATOM 0 HD3 ARG A 137 0.282 1.345 10.098 1.00 5.21 H new ATOM 0 HE ARG A 137 2.719 -0.205 10.450 1.00 73.51 H new ATOM 0 HH11 ARG A 137 -0.717 -0.382 9.658 1.00 63.45 H new ATOM 0 HH12 ARG A 137 -0.878 -2.050 10.217 1.00 63.45 H new ATOM 0 HH21 ARG A 137 2.504 -2.347 11.165 1.00 64.22 H new ATOM 0 HH22 ARG A 137 0.938 -3.159 11.067 1.00 64.22 H new ATOM 2051 N VAL A 138 1.386 -0.095 5.082 1.00 11.15 N ATOM 2052 CA VAL A 138 0.616 -1.116 4.383 1.00 62.14 C ATOM 2053 C VAL A 138 0.419 -2.351 5.255 1.00 74.34 C ATOM 2054 O VAL A 138 1.241 -2.648 6.123 1.00 31.21 O ATOM 2055 CB VAL A 138 1.301 -1.534 3.068 1.00 52.31 C ATOM 2056 CG1 VAL A 138 0.266 -1.786 1.983 1.00 54.01 C ATOM 2057 CG2 VAL A 138 2.300 -0.475 2.628 1.00 10.04 C ATOM 0 H VAL A 138 2.286 -0.416 5.438 1.00 11.15 H new ATOM 0 HA VAL A 138 -0.356 -0.678 4.155 1.00 62.14 H new ATOM 0 HB VAL A 138 1.844 -2.463 3.241 1.00 52.31 H new ATOM 0 HG11 VAL A 138 0.769 -2.080 1.062 1.00 54.01 H new ATOM 0 HG12 VAL A 138 -0.407 -2.583 2.300 1.00 54.01 H new ATOM 0 HG13 VAL A 138 -0.307 -0.876 1.809 1.00 54.01 H new ATOM 0 HG21 VAL A 138 2.775 -0.787 1.698 1.00 10.04 H new ATOM 0 HG22 VAL A 138 1.782 0.471 2.472 1.00 10.04 H new ATOM 0 HG23 VAL A 138 3.060 -0.350 3.399 1.00 10.04 H new ATOM 2067 N LEU A 139 -0.675 -3.067 5.020 1.00 73.13 N ATOM 2068 CA LEU A 139 -0.980 -4.271 5.785 1.00 73.55 C ATOM 2069 C LEU A 139 -1.863 -5.218 4.979 1.00 64.11 C ATOM 2070 O LEU A 139 -3.033 -4.940 4.713 1.00 20.44 O ATOM 2071 CB LEU A 139 -1.673 -3.902 7.098 1.00 31.25 C ATOM 2072 CG LEU A 139 -2.168 -5.074 7.948 1.00 51.41 C ATOM 2073 CD1 LEU A 139 -3.539 -5.533 7.477 1.00 11.21 C ATOM 2074 CD2 LEU A 139 -1.174 -6.225 7.900 1.00 0.33 C ATOM 0 H LEU A 139 -1.365 -2.835 4.306 1.00 73.13 H new ATOM 0 HA LEU A 139 -0.042 -4.779 6.007 1.00 73.55 H new ATOM 0 HB2 LEU A 139 -0.981 -3.311 7.698 1.00 31.25 H new ATOM 0 HB3 LEU A 139 -2.524 -3.260 6.869 1.00 31.25 H new ATOM 0 HG LEU A 139 -2.255 -4.737 8.981 1.00 51.41 H new ATOM 0 HD11 LEU A 139 -3.875 -6.367 8.093 1.00 11.21 H new ATOM 0 HD12 LEU A 139 -4.248 -4.710 7.563 1.00 11.21 H new ATOM 0 HD13 LEU A 139 -3.478 -5.852 6.436 1.00 11.21 H new ATOM 0 HD21 LEU A 139 -1.542 -7.050 8.510 1.00 0.33 H new ATOM 0 HD22 LEU A 139 -1.055 -6.561 6.870 1.00 0.33 H new ATOM 0 HD23 LEU A 139 -0.211 -5.890 8.286 1.00 0.33 H new ATOM 2085 N PRO A 140 -1.293 -6.366 4.583 1.00 15.24 N ATOM 2086 CA PRO A 140 -2.011 -7.378 3.804 1.00 21.14 C ATOM 2087 C PRO A 140 -3.088 -8.083 4.623 1.00 42.05 C ATOM 2088 O PRO A 140 -2.905 -8.349 5.810 1.00 25.02 O ATOM 2089 CB PRO A 140 -0.911 -8.365 3.406 1.00 23.34 C ATOM 2090 CG PRO A 140 0.137 -8.208 4.454 1.00 73.50 C ATOM 2091 CD PRO A 140 0.096 -6.762 4.865 1.00 13.45 C ATOM 0 HA PRO A 140 -2.538 -6.941 2.956 1.00 21.14 H new ATOM 0 HB2 PRO A 140 -1.289 -9.387 3.374 1.00 23.34 H new ATOM 0 HB3 PRO A 140 -0.517 -8.140 2.415 1.00 23.34 H new ATOM 0 HG2 PRO A 140 -0.060 -8.861 5.304 1.00 73.50 H new ATOM 0 HG3 PRO A 140 1.120 -8.476 4.067 1.00 73.50 H new ATOM 0 HD2 PRO A 140 0.343 -6.637 5.919 1.00 13.45 H new ATOM 0 HD3 PRO A 140 0.808 -6.163 4.297 1.00 13.45 H new ATOM 2096 N VAL A 141 -4.213 -8.381 3.980 1.00 24.12 N ATOM 2097 CA VAL A 141 -5.319 -9.056 4.647 1.00 35.41 C ATOM 2098 C VAL A 141 -5.659 -10.372 3.956 1.00 12.10 C ATOM 2099 O VAL A 141 -5.900 -11.386 4.611 1.00 51.14 O ATOM 2100 CB VAL A 141 -6.578 -8.168 4.685 1.00 34.35 C ATOM 2101 CG1 VAL A 141 -7.649 -8.797 5.564 1.00 4.35 C ATOM 2102 CG2 VAL A 141 -6.228 -6.771 5.175 1.00 10.32 C ATOM 0 H VAL A 141 -4.382 -8.165 2.997 1.00 24.12 H new ATOM 0 HA VAL A 141 -4.995 -9.259 5.668 1.00 35.41 H new ATOM 0 HB VAL A 141 -6.975 -8.086 3.673 1.00 34.35 H new ATOM 0 HG11 VAL A 141 -8.530 -8.156 5.579 1.00 4.35 H new ATOM 0 HG12 VAL A 141 -7.918 -9.775 5.166 1.00 4.35 H new ATOM 0 HG13 VAL A 141 -7.266 -8.911 6.578 1.00 4.35 H new ATOM 0 HG21 VAL A 141 -7.128 -6.157 5.196 1.00 10.32 H new ATOM 0 HG22 VAL A 141 -5.807 -6.832 6.179 1.00 10.32 H new ATOM 0 HG23 VAL A 141 -5.498 -6.322 4.502 1.00 10.32 H new ATOM 2112 N SER A 142 -5.676 -10.347 2.627 1.00 61.15 N ATOM 2113 CA SER A 142 -5.991 -11.538 1.845 1.00 54.33 C ATOM 2114 C SER A 142 -5.074 -11.646 0.630 1.00 44.03 C ATOM 2115 O SER A 142 -5.106 -10.799 -0.262 1.00 52.03 O ATOM 2116 CB SER A 142 -7.453 -11.506 1.395 1.00 3.45 C ATOM 2117 OG SER A 142 -8.256 -10.795 2.319 1.00 54.32 O ATOM 0 H SER A 142 -5.476 -9.517 2.070 1.00 61.15 H new ATOM 0 HA SER A 142 -5.833 -12.412 2.477 1.00 54.33 H new ATOM 0 HB2 SER A 142 -7.524 -11.039 0.413 1.00 3.45 H new ATOM 0 HB3 SER A 142 -7.827 -12.525 1.292 1.00 3.45 H new ATOM 0 HG SER A 142 -8.813 -10.147 1.838 1.00 54.32 H new ATOM 2122 N TRP A 143 -4.260 -12.694 0.604 1.00 4.20 N ATOM 2123 CA TRP A 143 -3.334 -12.916 -0.502 1.00 54.00 C ATOM 2124 C TRP A 143 -3.627 -14.238 -1.200 1.00 2.53 C ATOM 2125 O TRP A 143 -4.433 -15.037 -0.725 1.00 44.25 O ATOM 2126 CB TRP A 143 -1.890 -12.900 0.005 1.00 71.32 C ATOM 2127 CG TRP A 143 -1.588 -14.006 0.970 1.00 35.31 C ATOM 2128 CD1 TRP A 143 -0.932 -15.172 0.701 1.00 23.12 C ATOM 2129 CD2 TRP A 143 -1.933 -14.048 2.360 1.00 3.33 C ATOM 2130 NE1 TRP A 143 -0.848 -15.938 1.839 1.00 4.25 N ATOM 2131 CE2 TRP A 143 -1.453 -15.271 2.870 1.00 50.31 C ATOM 2132 CE3 TRP A 143 -2.597 -13.173 3.222 1.00 50.24 C ATOM 2133 CZ2 TRP A 143 -1.619 -15.637 4.203 1.00 54.42 C ATOM 2134 CZ3 TRP A 143 -2.761 -13.537 4.545 1.00 45.12 C ATOM 2135 CH2 TRP A 143 -2.273 -14.760 5.026 1.00 44.32 C ATOM 0 H TRP A 143 -4.221 -13.404 1.335 1.00 4.20 H new ATOM 0 HA TRP A 143 -3.467 -12.110 -1.223 1.00 54.00 H new ATOM 0 HB2 TRP A 143 -1.213 -12.975 -0.846 1.00 71.32 H new ATOM 0 HB3 TRP A 143 -1.692 -11.943 0.487 1.00 71.32 H new ATOM 0 HD1 TRP A 143 -0.537 -15.452 -0.264 1.00 23.12 H new ATOM 0 HE1 TRP A 143 -0.406 -16.855 1.905 1.00 4.25 H new ATOM 0 HE3 TRP A 143 -2.976 -12.228 2.861 1.00 50.24 H new ATOM 0 HZ2 TRP A 143 -1.245 -16.580 4.575 1.00 54.42 H new ATOM 0 HZ3 TRP A 143 -3.274 -12.868 5.220 1.00 45.12 H new ATOM 0 HH2 TRP A 143 -2.416 -15.015 6.066 1.00 44.32 H new ATOM 2145 N HIS A 144 -2.966 -14.464 -2.332 1.00 33.24 N ATOM 2146 CA HIS A 144 -3.155 -15.691 -3.096 1.00 43.21 C ATOM 2147 C HIS A 144 -1.813 -16.336 -3.431 1.00 60.22 C ATOM 2148 O HIS A 144 -0.933 -15.697 -4.004 1.00 52.43 O ATOM 2149 CB HIS A 144 -3.930 -15.402 -4.383 1.00 31.24 C ATOM 2150 CG HIS A 144 -5.198 -16.189 -4.508 1.00 13.14 C ATOM 2151 ND1 HIS A 144 -6.439 -15.601 -4.626 1.00 31.12 N ATOM 2152 CD2 HIS A 144 -5.411 -17.526 -4.536 1.00 54.34 C ATOM 2153 CE1 HIS A 144 -7.362 -16.542 -4.719 1.00 23.42 C ATOM 2154 NE2 HIS A 144 -6.764 -17.719 -4.667 1.00 43.24 N ATOM 0 H HIS A 144 -2.295 -13.813 -2.740 1.00 33.24 H new ATOM 0 HA HIS A 144 -3.729 -16.386 -2.483 1.00 43.21 H new ATOM 0 HB2 HIS A 144 -4.166 -14.339 -4.424 1.00 31.24 H new ATOM 0 HB3 HIS A 144 -3.291 -15.620 -5.239 1.00 31.24 H new ATOM 0 HD2 HIS A 144 -4.657 -18.297 -4.468 1.00 54.34 H new ATOM 0 HE1 HIS A 144 -8.425 -16.377 -4.820 1.00 23.42 H new ATOM 0 HE2 HIS A 144 -7.232 -18.624 -4.716 1.00 43.24 H new ATOM 2161 N ASN A 145 -1.665 -17.605 -3.066 1.00 41.32 N ATOM 2162 CA ASN A 145 -0.430 -18.336 -3.326 1.00 52.31 C ATOM 2163 C ASN A 145 0.662 -17.925 -2.343 1.00 33.15 C ATOM 2164 O ASN A 145 1.188 -18.755 -1.601 1.00 65.14 O ATOM 2165 CB ASN A 145 0.041 -18.089 -4.761 1.00 12.43 C ATOM 2166 CG ASN A 145 0.453 -19.368 -5.463 1.00 11.15 C ATOM 2167 OD1 ASN A 145 1.276 -20.130 -4.955 1.00 24.14 O ATOM 2168 ND2 ASN A 145 -0.117 -19.609 -6.637 1.00 70.23 N ATOM 0 H ASN A 145 -2.385 -18.149 -2.589 1.00 41.32 H new ATOM 0 HA ASN A 145 -0.632 -19.399 -3.195 1.00 52.31 H new ATOM 0 HB2 ASN A 145 -0.759 -17.610 -5.325 1.00 12.43 H new ATOM 0 HB3 ASN A 145 0.883 -17.397 -4.750 1.00 12.43 H new ATOM 0 HD21 ASN A 145 0.122 -20.454 -7.156 1.00 70.23 H new ATOM 0 HD22 ASN A 145 -0.794 -18.949 -7.020 1.00 70.23 H new ATOM 2174 N ARG A 146 0.998 -16.639 -2.344 1.00 31.45 N ATOM 2175 CA ARG A 146 2.028 -16.119 -1.452 1.00 34.11 C ATOM 2176 C ARG A 146 2.143 -14.603 -1.581 1.00 72.44 C ATOM 2177 O ARG A 146 1.911 -14.042 -2.652 1.00 64.33 O ATOM 2178 CB ARG A 146 3.376 -16.771 -1.760 1.00 21.25 C ATOM 2179 CG ARG A 146 4.539 -16.157 -0.996 1.00 20.50 C ATOM 2180 CD ARG A 146 4.408 -16.395 0.501 1.00 15.41 C ATOM 2181 NE ARG A 146 4.890 -17.717 0.890 1.00 34.31 N ATOM 2182 CZ ARG A 146 6.177 -18.029 0.996 1.00 64.54 C ATOM 2183 NH1 ARG A 146 7.106 -17.118 0.745 1.00 14.32 N ATOM 2184 NH2 ARG A 146 6.536 -19.255 1.356 1.00 52.44 N ATOM 0 H ARG A 146 0.573 -15.939 -2.952 1.00 31.45 H new ATOM 0 HA ARG A 146 1.742 -16.359 -0.428 1.00 34.11 H new ATOM 0 HB2 ARG A 146 3.318 -17.834 -1.524 1.00 21.25 H new ATOM 0 HB3 ARG A 146 3.572 -16.692 -2.829 1.00 21.25 H new ATOM 0 HG2 ARG A 146 5.476 -16.584 -1.353 1.00 20.50 H new ATOM 0 HG3 ARG A 146 4.581 -15.086 -1.193 1.00 20.50 H new ATOM 0 HD2 ARG A 146 4.969 -15.632 1.040 1.00 15.41 H new ATOM 0 HD3 ARG A 146 3.364 -16.289 0.795 1.00 15.41 H new ATOM 0 HE ARG A 146 4.201 -18.441 1.092 1.00 34.31 H new ATOM 0 HH11 ARG A 146 6.834 -16.174 0.470 1.00 14.32 H new ATOM 0 HH12 ARG A 146 8.093 -17.360 0.827 1.00 14.32 H new ATOM 0 HH21 ARG A 146 5.824 -19.958 1.551 1.00 52.44 H new ATOM 0 HH22 ARG A 146 7.524 -19.494 1.437 1.00 52.44 H new ATOM 2195 N ILE A 147 2.502 -13.946 -0.484 1.00 20.44 N ATOM 2196 CA ILE A 147 2.649 -12.496 -0.474 1.00 51.24 C ATOM 2197 C ILE A 147 3.860 -12.061 -1.292 1.00 53.50 C ATOM 2198 O ILE A 147 4.907 -11.720 -0.739 1.00 3.15 O ATOM 2199 CB ILE A 147 2.789 -11.953 0.960 1.00 51.35 C ATOM 2200 CG1 ILE A 147 1.570 -12.344 1.798 1.00 2.54 C ATOM 2201 CG2 ILE A 147 2.962 -10.441 0.940 1.00 40.51 C ATOM 2202 CD1 ILE A 147 1.733 -13.663 2.521 1.00 52.21 C ATOM 0 H ILE A 147 2.697 -14.395 0.411 1.00 20.44 H new ATOM 0 HA ILE A 147 1.744 -12.084 -0.922 1.00 51.24 H new ATOM 0 HB ILE A 147 3.676 -12.394 1.415 1.00 51.35 H new ATOM 0 HG12 ILE A 147 1.375 -11.560 2.529 1.00 2.54 H new ATOM 0 HG13 ILE A 147 0.696 -12.400 1.149 1.00 2.54 H new ATOM 0 HG21 ILE A 147 3.060 -10.072 1.961 1.00 40.51 H new ATOM 0 HG22 ILE A 147 3.858 -10.185 0.375 1.00 40.51 H new ATOM 0 HG23 ILE A 147 2.093 -9.981 0.470 1.00 40.51 H new ATOM 0 HD11 ILE A 147 0.831 -13.877 3.095 1.00 52.21 H new ATOM 0 HD12 ILE A 147 1.898 -14.458 1.794 1.00 52.21 H new ATOM 0 HD13 ILE A 147 2.587 -13.605 3.195 1.00 52.21 H new ATOM 2213 N THR A 148 3.712 -12.072 -2.613 1.00 64.20 N ATOM 2214 CA THR A 148 4.793 -11.678 -3.508 1.00 55.01 C ATOM 2215 C THR A 148 4.319 -10.642 -4.520 1.00 73.11 C ATOM 2216 O THR A 148 3.680 -10.980 -5.517 1.00 51.21 O ATOM 2217 CB THR A 148 5.367 -12.892 -4.263 1.00 52.43 C ATOM 2218 OG1 THR A 148 5.152 -14.087 -3.505 1.00 11.01 O ATOM 2219 CG2 THR A 148 6.854 -12.711 -4.525 1.00 14.43 C ATOM 0 H THR A 148 2.853 -12.350 -3.087 1.00 64.20 H new ATOM 0 HA THR A 148 5.575 -11.243 -2.886 1.00 55.01 H new ATOM 0 HB THR A 148 4.853 -12.974 -5.221 1.00 52.43 H new ATOM 0 HG1 THR A 148 5.518 -14.854 -3.993 1.00 11.01 H new ATOM 0 HG21 THR A 148 7.238 -13.580 -5.059 1.00 14.43 H new ATOM 0 HG22 THR A 148 7.011 -11.816 -5.128 1.00 14.43 H new ATOM 0 HG23 THR A 148 7.381 -12.606 -3.576 1.00 14.43 H new ATOM 2227 N LEU A 149 4.635 -9.378 -4.258 1.00 42.22 N ATOM 2228 CA LEU A 149 4.242 -8.291 -5.147 1.00 14.43 C ATOM 2229 C LEU A 149 5.108 -7.057 -4.914 1.00 53.43 C ATOM 2230 O LEU A 149 6.163 -7.136 -4.287 1.00 32.44 O ATOM 2231 CB LEU A 149 2.768 -7.941 -4.937 1.00 15.41 C ATOM 2232 CG LEU A 149 2.440 -7.152 -3.668 1.00 4.41 C ATOM 2233 CD1 LEU A 149 1.019 -6.613 -3.728 1.00 2.23 C ATOM 2234 CD2 LEU A 149 2.630 -8.023 -2.435 1.00 31.15 C ATOM 0 H LEU A 149 5.162 -9.081 -3.437 1.00 42.22 H new ATOM 0 HA LEU A 149 4.386 -8.625 -6.175 1.00 14.43 H new ATOM 0 HB2 LEU A 149 2.426 -7.366 -5.797 1.00 15.41 H new ATOM 0 HB3 LEU A 149 2.194 -8.867 -4.924 1.00 15.41 H new ATOM 0 HG LEU A 149 3.125 -6.307 -3.601 1.00 4.41 H new ATOM 0 HD11 LEU A 149 0.803 -6.055 -2.817 1.00 2.23 H new ATOM 0 HD12 LEU A 149 0.916 -5.955 -4.591 1.00 2.23 H new ATOM 0 HD13 LEU A 149 0.319 -7.443 -3.819 1.00 2.23 H new ATOM 0 HD21 LEU A 149 2.392 -7.446 -1.542 1.00 31.15 H new ATOM 0 HD22 LEU A 149 1.969 -8.888 -2.495 1.00 31.15 H new ATOM 0 HD23 LEU A 149 3.665 -8.361 -2.384 1.00 31.15 H new ATOM 2245 N ARG A 150 4.652 -5.916 -5.423 1.00 31.43 N ATOM 2246 CA ARG A 150 5.385 -4.665 -5.269 1.00 41.43 C ATOM 2247 C ARG A 150 4.446 -3.468 -5.386 1.00 54.31 C ATOM 2248 O ARG A 150 3.770 -3.292 -6.401 1.00 43.10 O ATOM 2249 CB ARG A 150 6.491 -4.564 -6.321 1.00 50.20 C ATOM 2250 CG ARG A 150 5.979 -4.629 -7.751 1.00 22.14 C ATOM 2251 CD ARG A 150 5.921 -3.250 -8.386 1.00 55.04 C ATOM 2252 NE ARG A 150 6.383 -3.264 -9.771 1.00 62.34 N ATOM 2253 CZ ARG A 150 6.490 -2.173 -10.521 1.00 42.24 C ATOM 2254 NH1 ARG A 150 6.170 -0.987 -10.022 1.00 1.51 N ATOM 2255 NH2 ARG A 150 6.918 -2.268 -11.775 1.00 34.32 N ATOM 0 H ARG A 150 3.780 -5.833 -5.945 1.00 31.43 H new ATOM 0 HA ARG A 150 5.836 -4.656 -4.277 1.00 41.43 H new ATOM 0 HB2 ARG A 150 7.031 -3.628 -6.180 1.00 50.20 H new ATOM 0 HB3 ARG A 150 7.206 -5.371 -6.163 1.00 50.20 H new ATOM 0 HG2 ARG A 150 6.628 -5.275 -8.342 1.00 22.14 H new ATOM 0 HG3 ARG A 150 4.986 -5.078 -7.763 1.00 22.14 H new ATOM 0 HD2 ARG A 150 4.897 -2.877 -8.349 1.00 55.04 H new ATOM 0 HD3 ARG A 150 6.533 -2.559 -7.807 1.00 55.04 H new ATOM 0 HE ARG A 150 6.638 -4.161 -10.185 1.00 62.34 H new ATOM 0 HH11 ARG A 150 5.841 -0.911 -9.060 1.00 1.51 H new ATOM 0 HH12 ARG A 150 6.253 -0.151 -10.600 1.00 1.51 H new ATOM 0 HH21 ARG A 150 7.165 -3.179 -12.162 1.00 34.32 H new ATOM 0 HH22 ARG A 150 7.000 -1.430 -12.351 1.00 34.32 H new ATOM 2266 N LEU A 151 4.408 -2.648 -4.342 1.00 34.25 N ATOM 2267 CA LEU A 151 3.552 -1.466 -4.327 1.00 22.44 C ATOM 2268 C LEU A 151 4.368 -0.199 -4.557 1.00 23.35 C ATOM 2269 O LEU A 151 5.146 0.214 -3.698 1.00 34.22 O ATOM 2270 CB LEU A 151 2.805 -1.371 -2.995 1.00 73.34 C ATOM 2271 CG LEU A 151 1.288 -1.560 -3.061 1.00 14.25 C ATOM 2272 CD1 LEU A 151 0.748 -2.007 -1.712 1.00 73.34 C ATOM 2273 CD2 LEU A 151 0.610 -0.274 -3.510 1.00 54.21 C ATOM 0 H LEU A 151 4.960 -2.779 -3.494 1.00 34.25 H new ATOM 0 HA LEU A 151 2.829 -1.561 -5.137 1.00 22.44 H new ATOM 0 HB2 LEU A 151 3.215 -2.120 -2.317 1.00 73.34 H new ATOM 0 HB3 LEU A 151 3.011 -0.395 -2.555 1.00 73.34 H new ATOM 0 HG LEU A 151 1.068 -2.337 -3.793 1.00 14.25 H new ATOM 0 HD11 LEU A 151 -0.332 -2.136 -1.777 1.00 73.34 H new ATOM 0 HD12 LEU A 151 1.210 -2.953 -1.430 1.00 73.34 H new ATOM 0 HD13 LEU A 151 0.978 -1.252 -0.960 1.00 73.34 H new ATOM 0 HD21 LEU A 151 -0.468 -0.427 -3.551 1.00 54.21 H new ATOM 0 HD22 LEU A 151 0.837 0.523 -2.802 1.00 54.21 H new ATOM 0 HD23 LEU A 151 0.975 0.004 -4.499 1.00 54.21 H new ATOM 2284 N GLU A 152 4.183 0.414 -5.722 1.00 31.15 N ATOM 2285 CA GLU A 152 4.903 1.635 -6.064 1.00 73.24 C ATOM 2286 C GLU A 152 3.977 2.847 -6.002 1.00 74.40 C ATOM 2287 O GLU A 152 2.799 2.762 -6.351 1.00 5.41 O ATOM 2288 CB GLU A 152 5.514 1.519 -7.462 1.00 12.25 C ATOM 2289 CG GLU A 152 7.021 1.319 -7.451 1.00 45.34 C ATOM 2290 CD GLU A 152 7.416 -0.128 -7.228 1.00 31.02 C ATOM 2291 OE1 GLU A 152 6.878 -0.753 -6.291 1.00 74.44 O ATOM 2292 OE2 GLU A 152 8.263 -0.635 -7.993 1.00 30.34 O ATOM 0 H GLU A 152 3.542 0.086 -6.444 1.00 31.15 H new ATOM 0 HA GLU A 152 5.703 1.771 -5.336 1.00 73.24 H new ATOM 0 HB2 GLU A 152 5.049 0.684 -7.985 1.00 12.25 H new ATOM 0 HB3 GLU A 152 5.279 2.420 -8.028 1.00 12.25 H new ATOM 0 HG2 GLU A 152 7.436 1.663 -8.398 1.00 45.34 H new ATOM 0 HG3 GLU A 152 7.460 1.936 -6.667 1.00 45.34 H new ATOM 2297 N LEU A 153 4.518 3.974 -5.553 1.00 72.11 N ATOM 2298 CA LEU A 153 3.741 5.205 -5.443 1.00 41.51 C ATOM 2299 C LEU A 153 4.151 6.205 -6.519 1.00 52.34 C ATOM 2300 O LEU A 153 5.337 6.369 -6.811 1.00 55.23 O ATOM 2301 CB LEU A 153 3.926 5.826 -4.058 1.00 71.32 C ATOM 2302 CG LEU A 153 5.356 6.212 -3.679 1.00 43.34 C ATOM 2303 CD1 LEU A 153 5.420 7.670 -3.250 1.00 61.54 C ATOM 2304 CD2 LEU A 153 5.879 5.306 -2.576 1.00 13.05 C ATOM 0 H LEU A 153 5.491 4.062 -5.259 1.00 72.11 H new ATOM 0 HA LEU A 153 2.689 4.956 -5.585 1.00 41.51 H new ATOM 0 HB2 LEU A 153 3.302 6.718 -3.996 1.00 71.32 H new ATOM 0 HB3 LEU A 153 3.552 5.123 -3.314 1.00 71.32 H new ATOM 0 HG LEU A 153 5.990 6.085 -4.556 1.00 43.34 H new ATOM 0 HD11 LEU A 153 6.446 7.926 -2.984 1.00 61.54 H new ATOM 0 HD12 LEU A 153 5.088 8.306 -4.071 1.00 61.54 H new ATOM 0 HD13 LEU A 153 4.772 7.824 -2.387 1.00 61.54 H new ATOM 0 HD21 LEU A 153 6.898 5.596 -2.320 1.00 13.05 H new ATOM 0 HD22 LEU A 153 5.243 5.400 -1.696 1.00 13.05 H new ATOM 0 HD23 LEU A 153 5.872 4.272 -2.921 1.00 13.05 H new ATOM 2315 N LEU A 154 3.164 6.872 -7.106 1.00 51.34 N ATOM 2316 CA LEU A 154 3.421 7.860 -8.149 1.00 64.33 C ATOM 2317 C LEU A 154 2.981 9.250 -7.704 1.00 74.30 C ATOM 2318 O LEU A 154 2.033 9.395 -6.934 1.00 54.11 O ATOM 2319 CB LEU A 154 2.694 7.470 -9.438 1.00 61.44 C ATOM 2320 CG LEU A 154 2.579 5.971 -9.717 1.00 51.42 C ATOM 2321 CD1 LEU A 154 1.609 5.715 -10.860 1.00 25.44 C ATOM 2322 CD2 LEU A 154 3.945 5.381 -10.033 1.00 13.12 C ATOM 0 H LEU A 154 2.178 6.747 -6.878 1.00 51.34 H new ATOM 0 HA LEU A 154 4.494 7.883 -8.337 1.00 64.33 H new ATOM 0 HB2 LEU A 154 1.689 7.891 -9.406 1.00 61.44 H new ATOM 0 HB3 LEU A 154 3.209 7.937 -10.277 1.00 61.44 H new ATOM 0 HG LEU A 154 2.193 5.483 -8.822 1.00 51.42 H new ATOM 0 HD11 LEU A 154 1.539 4.643 -11.045 1.00 25.44 H new ATOM 0 HD12 LEU A 154 0.625 6.102 -10.596 1.00 25.44 H new ATOM 0 HD13 LEU A 154 1.966 6.216 -11.760 1.00 25.44 H new ATOM 0 HD21 LEU A 154 3.844 4.314 -10.229 1.00 13.12 H new ATOM 0 HD22 LEU A 154 4.359 5.874 -10.913 1.00 13.12 H new ATOM 0 HD23 LEU A 154 4.612 5.533 -9.184 1.00 13.12 H new ATOM 2333 N GLY A 155 3.676 10.271 -8.195 1.00 11.34 N ATOM 2334 CA GLY A 155 3.341 11.638 -7.839 1.00 20.04 C ATOM 2335 C GLY A 155 3.585 12.610 -8.975 1.00 12.42 C ATOM 2336 O GLY A 155 4.131 12.239 -10.015 1.00 23.15 O ATOM 0 H GLY A 155 4.466 10.176 -8.834 1.00 11.34 H new ATOM 0 HA2 GLY A 155 2.293 11.686 -7.543 1.00 20.04 H new ATOM 0 HA3 GLY A 155 3.931 11.940 -6.974 1.00 20.04 H new ATOM 2340 N CYS A 156 3.178 13.860 -8.780 1.00 60.12 N ATOM 2341 CA CYS A 156 3.353 14.888 -9.797 1.00 55.43 C ATOM 2342 C CYS A 156 4.663 15.644 -9.589 1.00 23.51 C ATOM 2343 O CYS A 156 4.786 16.812 -9.959 1.00 63.22 O ATOM 2344 CB CYS A 156 2.177 15.868 -9.768 1.00 14.41 C ATOM 2345 SG CYS A 156 0.688 15.268 -10.627 1.00 73.53 S ATOM 0 H CYS A 156 2.724 14.185 -7.926 1.00 60.12 H new ATOM 0 HA CYS A 156 3.387 14.398 -10.770 1.00 55.43 H new ATOM 0 HB2 CYS A 156 1.923 16.083 -8.730 1.00 14.41 H new ATOM 0 HB3 CYS A 156 2.491 16.809 -10.221 1.00 14.41 H new ATOM 2349 N LEU A 157 5.640 14.967 -8.996 1.00 74.21 N ATOM 2350 CA LEU A 157 6.942 15.572 -8.738 1.00 35.35 C ATOM 2351 C LEU A 157 7.605 16.013 -10.039 1.00 1.30 C ATOM 2352 O LEU A 157 8.663 16.642 -10.026 1.00 21.32 O ATOM 2353 CB LEU A 157 7.848 14.584 -8.000 1.00 73.22 C ATOM 2354 CG LEU A 157 7.228 13.876 -6.795 1.00 4.34 C ATOM 2355 CD1 LEU A 157 6.127 14.728 -6.184 1.00 30.54 C ATOM 2356 CD2 LEU A 157 6.689 12.512 -7.198 1.00 44.05 C ATOM 0 H LEU A 157 5.555 13.999 -8.685 1.00 74.21 H new ATOM 0 HA LEU A 157 6.789 16.452 -8.113 1.00 35.35 H new ATOM 0 HB2 LEU A 157 8.180 13.826 -8.710 1.00 73.22 H new ATOM 0 HB3 LEU A 157 8.737 15.118 -7.665 1.00 73.22 H new ATOM 0 HG LEU A 157 8.004 13.730 -6.044 1.00 4.34 H new ATOM 0 HD11 LEU A 157 5.697 14.208 -5.328 1.00 30.54 H new ATOM 0 HD12 LEU A 157 6.543 15.681 -5.858 1.00 30.54 H new ATOM 0 HD13 LEU A 157 5.350 14.906 -6.927 1.00 30.54 H new ATOM 0 HD21 LEU A 157 6.251 12.022 -6.328 1.00 44.05 H new ATOM 0 HD22 LEU A 157 5.926 12.635 -7.967 1.00 44.05 H new ATOM 0 HD23 LEU A 157 7.502 11.900 -7.588 1.00 44.05 H new ATOM 2367 N GLU A 158 6.973 15.681 -11.161 1.00 32.52 N ATOM 2368 CA GLU A 158 7.502 16.045 -12.471 1.00 31.31 C ATOM 2369 C GLU A 158 7.833 17.533 -12.529 1.00 40.11 C ATOM 2370 O GLU A 158 8.993 17.916 -12.678 1.00 43.11 O ATOM 2371 CB GLU A 158 6.495 15.691 -13.567 1.00 14.55 C ATOM 2372 CG GLU A 158 7.096 15.678 -14.963 1.00 62.54 C ATOM 2373 CD GLU A 158 7.935 14.442 -15.225 1.00 54.14 C ATOM 2374 OE1 GLU A 158 9.087 14.395 -14.747 1.00 13.31 O ATOM 2375 OE2 GLU A 158 7.439 13.523 -15.909 1.00 25.22 O ATOM 0 H GLU A 158 6.096 15.162 -11.189 1.00 32.52 H new ATOM 0 HA GLU A 158 8.420 15.480 -12.635 1.00 31.31 H new ATOM 0 HB2 GLU A 158 6.069 14.710 -13.355 1.00 14.55 H new ATOM 0 HB3 GLU A 158 5.674 16.408 -13.540 1.00 14.55 H new ATOM 0 HG2 GLU A 158 6.295 15.732 -15.700 1.00 62.54 H new ATOM 0 HG3 GLU A 158 7.713 16.567 -15.097 1.00 62.54 H new